data_2e6r_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 2e6r _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' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -129.19 113.33 14.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.6 mm -116.07 129.25 72.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.9 t -52.1 154.3 2.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -108.1 22.21 16.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.3 t -131.22 -42.89 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.25 -16.92 11.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m 63.84 63.44 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -123.77 -179.91 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.42 -40.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.434 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -22.51 61.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.781 0.324 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -83.74 -0.21 49.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -49.95 -27.9 6.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.53 -28.61 14.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -123.86 32.03 5.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.46 139.56 30.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mp -100.72 155.83 17.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -118.62 129.27 55.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 t -83.42 138.95 33.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -91.29 45.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.49 -39.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.454 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -125.43 -2.46 7.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 51.59 57.06 6.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -102.48 -179.72 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -123.53 122.27 37.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -139.33 132.78 30.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -78.09 179.71 6.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 42.2 pt -94.37 -16.97 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -110.23 13.96 22.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.8 m -111.08 -24.24 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.55 -169.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.42 105.65 0.43 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.719 . . . . 0.0 110.901 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 148.37 86.6 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.341 -0.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 169.38 19.01 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.694 2.263 . . . . 0.0 112.355 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.3 mt -113.57 159.55 35.08 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.589 0.709 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -39.73 6.26 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.658 2.239 . . . . 0.0 112.375 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -173.22 -179.14 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.5 mm -51.47 131.45 34.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.599 0.714 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 172.08 13.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -95.61 -74.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.02 -144.85 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.0 mt -81.77 130.96 34.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -117.48 139.84 50.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.05 160.26 21.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.515 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.35 158.71 34.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.663 0.744 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.515 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.7 Cg_endo -69.75 -24.31 29.87 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -18.86 62.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.5 m -103.09 -41.99 5.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.3 mt -66.52 -45.11 89.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.32 -16.75 63.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.22 -47.73 7.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -29.88 65.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.892 0.377 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -127.26 112.96 15.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.1 mm -116.43 129.14 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.8 t -52.2 154.45 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -108.15 22.13 16.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.3 t -131.39 -42.61 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.38 -17.0 11.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m 63.82 63.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.1 mmt-85 -123.63 179.95 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.34 -40.39 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -59.16 -22.57 61.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.766 0.317 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -83.68 -0.18 49.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -49.94 -27.92 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -51.56 -28.56 14.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -123.81 32.18 5.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mt -86.91 141.22 28.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mp -102.49 155.66 18.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -118.99 128.09 54.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.6 t -82.46 139.16 34.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -91.27 45.66 1.26 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.64 -38.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 p -124.97 -3.1 7.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.5 t70 51.77 57.16 6.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -103.03 -179.77 4.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -123.52 122.24 37.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -138.92 133.82 32.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -79.2 179.46 7.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.9 pt -95.16 -14.18 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -113.24 14.53 19.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.9 m -111.32 -23.98 10.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.49 -169.44 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.47 105.61 0.42 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.61 0.719 . . . . 0.0 110.953 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 148.28 86.45 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.319 -0.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 172.2 13.02 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.7 mt -115.34 159.78 36.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.717 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -41.17 4.58 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.709 2.273 . . . . 0.0 112.362 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -173.01 -179.13 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.4 mm -51.53 131.44 35.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.636 0.732 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 171.89 13.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -95.04 -74.95 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.48 -145.56 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 88.6 mt -80.39 131.38 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -118.05 140.21 50.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.61 160.28 22.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.515 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -95.56 158.76 33.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.649 0.738 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.515 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.4 Cg_endo -69.81 -24.16 29.74 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.319 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -70.58 -18.93 62.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.9 m -102.97 -41.92 5.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.7 mt -66.68 -45.35 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.6 mt -65.47 -16.99 64.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.71 -48.19 6.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -27.83 65.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.8 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.908 0.385 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -131.15 112.9 13.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.6 mm -116.35 129.02 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 t -51.98 154.2 2.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -108.01 22.21 16.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -131.38 -42.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.3 -17.02 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 m 63.88 63.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.8 mmt85 -123.72 -179.95 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.46 -40.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.24 -22.54 61.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -83.61 -0.12 49.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -49.97 -27.95 6.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -28.66 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -123.81 32.25 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.66 140.3 29.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mp -101.48 155.73 17.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -118.76 128.84 54.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 t -82.78 139.18 33.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -91.33 45.69 1.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.7 -39.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.478 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.23 -2.78 7.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.7 t0 51.71 56.99 7.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -102.29 -179.77 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -123.33 122.31 38.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -139.47 132.77 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -78.12 -179.44 6.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 42.0 pt -95.54 -16.71 7.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -110.47 14.33 22.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.7 m -111.36 -23.74 10.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.3 -169.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.41 105.62 0.43 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.632 0.73 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 148.3 86.4 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.667 -1.806 . . . . 0.0 112.358 -0.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.35 19.13 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.2 mt -113.12 159.48 34.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.637 0.732 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -39.95 5.84 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.65 2.234 . . . . 0.0 112.361 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -173.26 -179.15 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.4 mm -51.49 131.48 35.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.728 . . . . 0.0 111.153 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 171.87 13.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.66 -74.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.17 -144.12 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.9 mt -82.72 131.12 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 111.101 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -117.54 140.09 50.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.46 160.3 21.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.514 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.36 158.67 34.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.514 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.9 Cg_endo -69.74 -24.38 29.84 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -70.5 -18.73 62.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 19.6 m -103.06 -42.16 5.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.3 mt -66.5 -45.38 89.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.18 -16.83 63.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.32 -37.0 11.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -78.9 -26.78 43.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.866 0.365 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -129.08 113.63 15.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.7 mm -116.28 131.58 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.6 t -54.74 153.73 5.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -107.43 22.86 15.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -132.45 -42.37 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.59 -16.76 11.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m 63.77 63.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -124.82 175.74 7.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -136.9 -38.23 0.16 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -22.36 61.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.742 0.306 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -85.08 -0.32 54.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -50.51 -27.94 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.28 -29.04 13.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -124.23 32.82 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mt -86.17 143.34 28.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 mp -103.92 149.91 24.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -113.82 131.63 56.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.6 t -87.54 138.42 31.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -91.1 46.14 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.01 -39.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.521 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.9 p -125.76 -2.23 7.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 110.823 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 47.5 t0 51.69 56.14 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -102.25 -179.77 4.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -125.42 122.29 36.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -137.63 135.8 36.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -81.53 170.81 15.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.9 pt -89.96 -0.5 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -127.76 16.11 6.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.5 m -113.13 -24.51 9.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 mt -71.05 -169.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -169.61 105.51 0.46 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.613 0.721 . . . . 0.0 110.923 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 148.28 86.32 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.337 -0.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 178.45 4.54 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.0 mt -118.58 157.78 48.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.616 0.722 . . . . 0.0 110.945 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -44.36 2.11 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.383 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -169.85 176.66 4.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.7 mm -51.51 131.4 35.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.679 0.752 . . . . 0.0 111.148 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 173.5 10.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -96.97 -74.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.05 -144.53 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.4 mt -81.99 130.87 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -117.37 140.13 49.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.41 160.27 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.519 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.6 p -96.41 158.84 33.18 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.685 0.755 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.519 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.6 Cg_endo -69.78 -23.47 30.68 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -19.76 62.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 28.6 m -102.65 -41.34 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.0 mt -66.84 -45.26 88.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.8 mt -66.09 -17.01 64.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.51 -49.35 6.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -70.08 -31.03 68.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.929 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.85 0.357 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -117.16 112.94 21.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.2 mm -116.18 129.04 73.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.4 t -52.01 154.54 2.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -108.24 21.93 16.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.1 t -131.18 -42.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -115.24 -17.05 11.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 m 63.86 63.4 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -123.59 179.98 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.39 -40.2 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -22.61 61.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.324 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -83.7 -0.26 50.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -50.05 -28.09 6.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -51.54 -28.72 14.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -123.85 32.47 5.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.9 140.86 29.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 mp -101.81 152.86 20.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -116.51 129.64 56.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 t -84.13 139.05 32.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -91.18 45.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.63 -39.12 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -125.47 -2.45 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.0 t0 51.65 56.47 7.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.809 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -101.43 -179.83 4.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -124.49 122.27 37.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -139.0 133.69 32.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -79.4 176.43 9.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.9 pt -92.73 -10.67 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -117.94 17.88 14.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.9 m -114.25 -23.8 9.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.8 mt -71.85 -169.33 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.01 105.44 0.44 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.62 0.724 . . . . 0.0 110.936 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 148.25 86.34 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.361 -0.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 176.31 6.94 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.694 2.263 . . . . 0.0 112.377 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.84 158.42 45.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -41.95 3.9 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.329 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -171.95 178.57 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.8 mm -51.41 131.42 34.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 171.45 14.41 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.37 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -95.67 -73.64 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.15 -144.27 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.448 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 91.2 mt -82.71 131.05 34.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -117.69 140.42 49.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.81 160.13 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.52 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.6 p -95.35 158.77 34.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.52 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.0 Cg_endo -69.73 -24.61 29.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -70.44 -18.79 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.3 m -102.82 -42.39 5.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.3 mt -66.4 -45.24 89.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.8 mt -66.16 -17.29 64.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.06 -48.54 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.056 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -29.33 67.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 40.7 t . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.938 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -125.23 111.44 15.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.3 mm -114.11 132.77 62.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.4 t -56.0 153.78 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -107.18 22.67 15.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.3 t -132.46 -42.77 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -115.1 -16.82 11.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m 63.77 63.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -125.05 174.89 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.96 -37.99 0.18 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.36 -22.29 61.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -85.25 -0.44 54.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -50.37 -28.05 7.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.26 -28.94 13.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mttp -124.26 32.82 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mt -86.36 143.83 27.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.0 mp -104.29 150.22 24.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -115.15 130.11 56.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.3 t -85.0 140.16 31.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -91.32 46.08 1.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.03 -43.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.1 p -118.02 -14.08 9.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.795 0.331 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.9 t0 63.62 48.85 3.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -96.12 -179.35 4.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -125.28 122.25 36.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -137.23 135.77 37.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -81.31 171.99 14.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.0 pt -91.12 -0.17 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -127.94 15.6 6.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.4 m -112.46 -24.66 9.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.03 -169.33 0.35 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -169.8 105.47 0.45 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.617 0.723 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 148.24 86.32 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.323 -0.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -179.5 2.95 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.5 mt -120.88 157.7 54.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -44.54 2.02 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -169.49 176.74 4.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.4 mm -51.53 131.44 35.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 171.15 15.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.258 . . . . 0.0 112.345 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -95.88 -72.36 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.27 -143.26 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 88.6 mt -84.35 131.46 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.159 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -118.21 141.0 48.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.89 160.32 22.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.52 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -96.49 158.93 32.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.52 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.0 Cg_endo -69.77 -23.79 30.36 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.73 2.287 . . . . 0.0 112.328 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -70.7 -19.29 62.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 26.5 m -102.86 -41.55 6.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.2 mt -66.92 -45.31 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.98 -17.36 64.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.12 -44.02 9.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.45 -28.2 61.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -117.85 112.88 20.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.2 mm -116.4 128.96 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 t -51.92 154.29 2.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -108.07 22.17 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.5 t -131.5 -42.52 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.35 -17.13 11.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 m 63.94 63.4 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -123.71 -179.97 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.44 -40.48 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -22.51 60.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -83.59 -0.25 49.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -49.96 -27.88 6.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.52 -28.6 14.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -123.88 32.15 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.57 140.67 29.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mp -101.84 155.75 17.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -118.76 128.85 54.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.8 t -83.0 139.03 33.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -91.31 45.81 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.72 -38.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.35 -2.57 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 t0 51.48 57.22 6.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -102.65 -179.87 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -123.32 122.26 37.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -139.27 132.84 30.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -78.18 -179.28 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.1 pt -95.7 -16.57 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -110.68 14.37 22.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.4 m -111.39 -23.91 10.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.0 mt -70.17 -169.35 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.47 105.56 0.42 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.637 0.732 . . . . 0.0 110.953 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 148.3 86.36 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.38 -0.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 169.35 19.2 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.8 mt -112.92 159.52 34.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -40.12 5.67 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.315 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -173.27 -179.17 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.4 mm -51.47 131.46 34.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 111.153 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 172.08 13.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.303 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.63 -74.7 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.05 -145.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.438 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.9 mt -81.48 130.9 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 74.1 t90 -117.39 140.01 50.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.26 160.22 22.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.514 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.35 158.69 34.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.592 0.711 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.514 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.0 Cg_endo -69.76 -24.1 30.06 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -70.66 -18.9 62.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.5 m -103.11 -41.76 5.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.5 mt -66.88 -45.09 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.169 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.3 mt -65.89 -16.95 64.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.27 -40.27 10.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -77.18 -26.16 52.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.0 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.896 0.379 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -132.35 112.98 12.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.4 mm -116.05 128.83 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 t -51.96 154.31 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -108.07 22.2 16.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.9 t -131.33 -42.76 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.26 -17.04 11.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m 63.94 63.36 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -123.18 179.94 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.36 -41.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.447 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.09 -22.57 61.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -83.23 -0.09 47.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -50.09 -27.65 5.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -28.85 12.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.7 mttp -123.85 32.69 5.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mt -87.33 138.49 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mp -99.48 155.9 17.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -118.93 128.85 54.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.8 t -82.7 139.31 33.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -91.43 45.58 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.58 -38.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.26 -2.66 7.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.363 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.7 t0 51.64 56.98 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -102.3 -179.75 4.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -123.35 122.24 37.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -139.39 132.66 29.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -78.13 179.98 6.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.9 pt -94.62 -17.25 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -110.21 14.56 22.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.7 m -111.6 -23.89 10.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.6 mt -70.21 -169.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.41 105.61 0.43 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.653 0.739 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 148.27 86.43 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.339 -0.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 169.56 18.57 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.685 2.257 . . . . 0.0 112.355 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.8 mt -113.47 159.5 35.1 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.634 0.73 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -39.8 6.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -173.4 -179.1 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.5 mm -51.42 131.43 34.32 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 0.0 111.163 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 171.99 13.47 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.715 2.277 . . . . 0.0 112.316 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.6 -74.48 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.09 -144.57 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.8 mt -82.02 131.03 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.143 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -117.49 139.97 50.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.23 160.26 21.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.514 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.39 158.68 34.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.609 0.719 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.514 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.2 Cg_endo -69.72 -24.28 30.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.44 -18.93 63.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.8 m -103.04 -42.0 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.6 mt -66.64 -45.26 88.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.47 -16.95 64.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.73 -45.39 8.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -73.89 -26.9 60.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.923 0.392 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -121.06 113.53 20.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.0 mm -117.75 128.02 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.3 t -52.0 150.92 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -105.34 22.65 15.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.7 t -130.68 -42.77 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.0 p -115.81 -16.58 11.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m 63.82 63.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -123.78 -179.97 4.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.71 -40.53 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -22.58 61.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -83.44 -0.22 49.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -49.94 -27.84 5.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.65 -28.36 14.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -123.88 31.8 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.35 140.98 29.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mp -102.2 155.83 17.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -118.67 129.03 55.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.0 t -83.45 138.98 33.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -91.22 45.76 1.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.55 -39.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.1 p -125.19 -2.82 7.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.322 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 51.74 56.8 7.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -102.52 -179.7 4.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -123.46 122.27 37.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -139.22 132.76 30.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.6 m170 -77.77 -178.44 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.1 pt -96.9 -16.52 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -110.36 13.64 22.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.5 m -110.86 -24.38 10.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.33 -169.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.47 105.67 0.42 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.639 0.733 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 148.28 86.38 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.72 -1.783 . . . . 0.0 112.354 -0.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.63 21.02 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.2 mt -112.39 159.42 34.05 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.66 0.743 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -40.31 5.52 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.734 2.289 . . . . 0.0 112.334 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -172.94 -179.19 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.4 mm -51.48 131.41 34.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 172.19 13.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -95.65 -74.83 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.1 -145.57 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.7 mt -80.85 130.7 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.123 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -117.33 139.91 50.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.01 160.25 21.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.514 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -95.39 158.63 34.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.671 0.748 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.514 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.7 Cg_endo -69.72 -24.16 30.18 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.337 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -18.82 62.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.9 m -103.14 -41.91 5.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.7 mt -66.84 -45.17 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.76 -17.04 64.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.66 -45.33 9.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -72.61 -31.49 65.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -119.67 112.74 19.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.6 mm -116.6 129.02 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.18 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.4 t -52.38 154.11 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -107.87 22.39 16.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.5 t -131.77 -42.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.54 -16.95 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m 63.89 63.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -124.36 177.17 6.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.88 -39.44 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -59.26 -22.37 61.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -84.35 -0.14 51.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -50.12 -28.01 6.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -28.42 14.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -123.9 31.96 5.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.45 143.44 27.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 mp -104.95 152.66 22.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -115.96 129.74 56.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.0 t -84.79 139.17 32.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -91.39 45.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.13 -39.13 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.3 p -125.14 -2.85 7.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.0 t0 51.7 56.25 8.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -102.33 -179.58 4.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -124.23 122.31 37.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -138.33 134.3 34.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -79.94 175.74 10.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.4 pt -93.22 -7.35 10.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -120.93 16.83 11.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.0 m -113.31 -23.76 9.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.2 mt -72.17 -169.46 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.06 105.55 0.44 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.718 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 148.25 86.31 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.355 -0.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -177.96 2.11 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.312 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.3 mt -124.05 159.37 56.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -43.55 2.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -171.45 179.91 2.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.1 mm -51.56 131.42 35.69 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 173.1 11.5 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -96.13 -74.92 0.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.36 -145.17 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 91.1 mt -80.86 131.13 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.813 0.34 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -117.84 140.3 49.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.74 160.28 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.516 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.4 p -95.99 158.67 33.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.516 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.3 Cg_endo -69.74 -24.0 30.27 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.256 . . . . 0.0 112.363 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -19.21 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.8 m -102.72 -42.06 6.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.8 mt -66.56 -45.41 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.1 mt -66.01 -17.26 64.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.16 -47.35 8.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -70.45 -36.74 74.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 39.5 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.915 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.899 0.381 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -118.14 111.27 18.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.6 mm -114.27 131.76 65.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.1 t -55.23 153.87 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -107.34 22.61 15.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.6 t -132.2 -42.66 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -115.45 -16.62 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m 63.81 63.31 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -124.97 174.57 7.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.71 -38.08 0.18 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.432 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -59.4 -22.24 61.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.815 0.341 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -85.47 -0.34 54.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -50.38 -27.8 6.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.2 -29.02 12.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -124.16 32.55 5.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mt -86.0 144.05 27.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.1 mp -104.79 150.72 24.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -115.37 130.5 56.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.9 t -85.23 140.4 30.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -91.44 45.7 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.72 -43.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.0 p -117.94 -14.19 10.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.9 t0 63.55 48.77 3.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -96.48 -179.2 4.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -124.92 122.32 37.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -137.0 135.86 37.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -81.24 171.95 14.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.5 pt -90.65 -4.27 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -123.63 14.63 9.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.2 m -111.32 -24.01 10.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.1 mt -71.57 -169.42 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.0 105.45 0.44 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.654 0.74 . . . . 0.0 110.968 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 148.28 86.56 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.326 -0.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -179.19 2.72 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.354 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.1 mt -121.97 158.39 55.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.631 0.729 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -44.05 2.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -170.26 177.93 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.4 mm -51.52 131.38 35.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.584 0.707 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 171.77 13.86 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.665 2.244 . . . . 0.0 112.327 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -96.21 -72.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.25 -143.49 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.493 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.3 mt -84.04 131.21 34.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -117.98 140.96 48.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.78 160.31 22.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.52 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 11.9 p -96.58 158.9 32.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.52 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.6 Cg_endo -69.71 -23.65 30.8 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.676 2.25 . . . . 0.0 112.333 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -70.53 -19.59 62.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 33.3 m -102.89 -41.43 6.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.1 mt -66.68 -45.24 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 53.3 mt -65.43 -17.11 64.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.63 -34.0 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -81.52 -28.95 33.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.897 0.379 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -124.06 114.25 19.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.3 mm -116.97 129.2 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.9 t -52.16 154.41 2.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -108.15 22.07 16.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.2 t -131.38 -42.59 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.28 -17.09 11.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.88 63.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -123.8 179.99 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.4 -40.41 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -22.55 61.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.738 0.304 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -83.61 -0.14 49.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -49.94 -27.95 6.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -51.5 -28.54 13.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -123.91 32.12 5.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.62 140.28 30.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mp -101.5 155.69 17.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -118.91 128.8 54.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.7 t -83.14 139.24 33.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -91.37 45.6 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.37 -38.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.0 p -125.26 -2.65 7.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t0 51.53 56.82 7.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -102.45 -179.72 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -123.43 122.38 38.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -139.28 132.8 30.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -78.21 -179.35 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.819 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.4 pt -95.71 -16.24 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -111.07 14.58 21.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.2 m -111.58 -23.91 10.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.0 mt -70.15 -169.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.3 105.57 0.43 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.552 0.691 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 148.31 86.38 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.339 -0.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 169.53 18.81 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.656 2.237 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.0 mt -112.93 159.48 34.38 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -40.03 5.7 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.292 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -173.38 -179.24 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.5 mm -51.48 131.47 34.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.664 0.745 . . . . 0.0 111.133 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 172.18 13.13 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.239 . . . . 0.0 112.368 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.1 mtt85 -95.45 -74.78 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.54 -146.29 0.11 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.2 mt -79.83 130.59 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 111.132 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -117.31 139.75 50.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.96 160.21 21.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.515 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.3 158.73 34.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.711 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.515 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.7 Cg_endo -69.74 -24.27 29.95 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.691 2.26 . . . . 0.0 112.389 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -18.77 62.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.9 m -103.15 -41.95 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.7 mt -66.79 -45.28 88.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.68 -17.12 64.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.07 -44.97 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -73.33 -33.79 65.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.1 t . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.898 0.38 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -112.18 111.13 21.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.969 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.9 mm -110.6 135.18 50.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.1 t -51.97 149.62 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -101.31 20.71 15.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.0 t -131.56 -42.12 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.6 p -116.35 -16.86 10.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.9 t 63.65 63.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -125.64 167.25 15.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -128.55 -35.56 0.49 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -22.27 61.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -88.5 -0.25 57.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -50.28 -27.58 6.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.31 -28.98 13.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -124.16 32.28 5.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 mt -85.27 143.25 28.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 mp -104.0 149.78 24.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -114.08 131.75 56.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.2 t -87.36 138.54 31.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -91.31 45.9 1.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.9 -39.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 p -125.76 -2.06 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t0 51.64 55.94 8.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -101.23 -179.66 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.39 122.29 34.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -138.52 136.71 36.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 44.2 m170 -82.09 171.91 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.3 pt -90.29 -0.0 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -128.15 14.58 6.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.0 m -111.38 -24.72 10.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.8 mt -70.92 -169.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -169.8 105.5 0.45 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.598 0.713 . . . . 0.0 110.96 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 148.35 86.49 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.314 -0.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 179.16 3.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.674 2.25 . . . . 0.0 112.334 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.0 mt -119.44 158.01 50.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -44.45 2.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -169.44 176.65 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.7 mm -51.64 131.49 36.46 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.666 0.746 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 172.37 12.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.306 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -95.91 -74.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.98 -146.09 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.513 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.0 mt -80.12 130.63 35.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 111.121 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 74.1 t90 -117.29 139.76 50.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.84 160.25 21.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.518 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.0 p -96.25 158.87 33.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.616 0.722 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.518 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.0 Cg_endo -69.75 -23.75 30.47 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.358 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -70.4 -19.64 62.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 30.9 m -102.81 -41.61 6.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.4 mt -66.76 -45.02 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.9 mt -66.63 -17.24 64.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.79 -48.48 7.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -26.52 63.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 -179.953 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.873 0.368 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -131.94 111.26 11.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.948 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.1 mm -113.51 131.77 64.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.8 t -51.86 150.52 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -103.04 21.64 15.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.1 t -131.84 -42.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.4 p -116.54 -12.04 11.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.4 t 58.71 63.78 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -125.65 168.96 13.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.79 -36.05 0.37 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -22.19 61.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -87.32 -0.3 56.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -50.34 -27.52 6.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -51.37 -28.92 13.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -124.2 32.44 5.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mt -85.53 143.66 28.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 mp -104.26 150.06 24.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -114.03 131.78 56.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.2 t -87.15 138.34 31.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -91.09 46.25 1.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.28 -39.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.3 p -126.04 -1.8 7.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t0 51.49 56.31 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -101.6 -179.78 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.829 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -125.89 122.33 35.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -138.44 136.28 36.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -81.49 172.79 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.7 pt -91.9 -0.49 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -127.42 13.79 7.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.5 m -111.13 -24.28 10.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 mt -70.87 -169.42 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -169.88 105.53 0.45 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.622 0.725 . . . . 0.0 110.938 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 148.33 86.53 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.303 -0.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 178.7 4.32 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.369 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.0 mt -119.25 157.98 49.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.608 0.718 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -44.84 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -169.38 176.63 5.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.5 mm -51.52 131.42 35.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 172.32 12.87 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.0 mtt85 -96.26 -73.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.14 -144.03 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.9 mt -83.06 131.07 34.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.127 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -117.49 140.16 49.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.4 160.31 21.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.518 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.7 p -96.26 158.84 33.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.518 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.6 Cg_endo -69.79 -23.85 30.2 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -19.51 62.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 23.1 m -102.55 -41.99 6.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mt -66.41 -45.47 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.6 mt -65.64 -16.93 64.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.27 -45.73 9.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.086 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -73.59 -32.39 64.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.3 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.945 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -121.36 113.01 19.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.3 mm -116.87 131.75 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.1 t -54.33 152.64 6.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -107.3 24.48 12.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.8 t -133.64 -41.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.0 p -116.09 -16.84 11.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m 63.95 63.24 0.83 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.7 mmt-85 -123.31 179.99 4.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.01 -40.26 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.539 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.31 -22.14 60.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -84.92 0.01 52.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -49.91 -27.42 5.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -51.36 -28.6 12.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -123.64 32.44 5.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mt -88.13 133.79 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mp -93.97 156.59 16.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -119.5 129.31 54.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.2 t -84.24 139.2 32.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -91.44 45.62 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.19 -39.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 p -125.46 -2.34 7.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.5 t0 51.59 55.84 8.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -100.7 -179.91 4.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -125.13 122.22 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -138.02 134.8 35.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -79.85 -179.61 7.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.828 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.7 pt -97.28 -11.68 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -116.06 17.02 15.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 33.2 m -114.19 -25.32 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.0 mt -68.2 -169.5 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -169.66 105.47 0.46 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.59 0.71 . . . . 0.0 110.942 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.23 86.31 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.313 -0.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 160.61 49.08 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.377 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.8 mt -102.4 159.61 28.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.699 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -41.11 4.62 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -174.8 -179.09 1.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.8 mm -50.79 131.27 28.68 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.64 0.733 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 176.56 6.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -98.05 -74.89 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.83 -148.64 0.5 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 83.6 mt -74.9 129.86 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -117.24 139.41 50.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -117.15 160.34 21.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.515 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.0 p -95.53 158.74 34.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.729 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.515 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.2 Cg_endo -69.76 -24.18 29.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.686 2.258 . . . . 0.0 112.345 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -70.64 -18.78 62.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.9 m -103.1 -41.97 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.1 mt -66.75 -45.3 88.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.93 -17.1 64.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.66 -47.65 7.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -28.26 62.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.84 -179.903 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -124.38 111.21 15.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.5 mm -115.67 132.51 64.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.0 t -55.86 152.95 9.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -106.69 23.7 13.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.6 t -133.68 -42.29 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.6 p -115.32 -17.23 11.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.4 m 63.79 63.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -122.85 179.81 4.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.35 -39.67 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -22.14 61.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.756 0.312 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -85.32 0.02 53.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -49.96 -27.68 5.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -28.8 12.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -123.7 32.99 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 mt -88.59 135.23 33.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mp -96.32 157.24 15.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -119.57 128.82 54.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.0 t -83.94 138.51 33.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -91.16 46.05 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.56 -39.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.14 -2.79 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t70 51.63 57.29 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -103.27 -179.81 4.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.816 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -124.86 122.24 36.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -137.11 135.94 37.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -80.98 177.25 9.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.2 pt -95.67 -2.7 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -126.1 17.62 7.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.3 m -114.54 -24.99 8.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mt -70.12 -169.45 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -169.98 105.57 0.44 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 0.0 110.904 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 148.31 86.65 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.318 -0.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 176.49 6.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.9 mt -118.42 159.34 44.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -42.19 3.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.311 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -174.33 -178.73 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.7 mm -51.01 131.17 30.33 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.625 0.726 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 177.32 5.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -98.35 -74.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.84 -146.54 0.38 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.6 mt -76.96 130.94 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -117.83 140.19 50.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.28 160.4 21.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.517 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.3 p -95.83 158.74 33.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.864 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.517 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.7 Cg_endo -69.78 -24.11 29.98 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.377 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.62 -18.89 62.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.0 m -103.05 -41.99 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.2 mt -66.72 -45.4 88.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.08 -17.44 64.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.92 -44.08 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -27.87 61.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.908 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.4 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.895 0.378 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -121.71 112.26 18.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.7 mm -115.34 130.67 69.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.158 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.8 t -53.86 154.05 4.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -107.76 22.42 15.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.2 t -132.06 -42.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -115.6 -17.21 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 m 63.84 63.58 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -123.3 179.91 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.5 -39.82 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.448 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.45 -22.06 60.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.726 0.298 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -85.51 -0.06 53.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -49.76 -27.7 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.39 -28.62 13.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -123.64 32.57 5.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 mt -88.1 133.75 33.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mp -93.79 156.32 16.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -119.11 129.62 55.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.3 t -84.54 138.82 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -91.27 45.78 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.3 -38.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.507 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 p -126.22 -1.39 7.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.78 56.49 7.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.81 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -101.2 -179.9 4.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -125.08 122.28 36.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -138.11 134.95 35.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.2 m170 -80.45 177.97 8.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.876 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.6 pt -93.97 -13.82 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -114.41 16.89 17.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.2 m -113.56 -25.38 8.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.3 mt -68.4 -169.47 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -169.5 105.43 0.47 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.619 0.723 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 148.26 86.29 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.315 -0.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 160.26 50.34 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.325 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.4 mt -101.99 159.54 29.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.634 0.731 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -40.19 5.62 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -175.09 -179.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.7 mm -51.06 131.27 30.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 175.99 7.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.379 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -97.6 -74.87 0.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.51 -148.23 0.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.1 mt -75.47 130.11 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -117.36 139.37 50.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -117.13 160.31 21.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.516 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.3 p -95.44 158.76 34.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.655 0.741 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.516 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.3 Cg_endo -69.75 -24.16 30.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.61 -18.86 62.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.7 m -103.05 -42.04 5.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.811 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.3 mt -66.7 -45.41 88.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.69 -17.16 64.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.25 -47.7 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -27.93 62.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.2 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.862 0.363 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -117.29 111.98 20.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.2 mm -114.26 132.79 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.4 t -56.03 153.86 8.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -107.18 22.75 15.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.4 t -132.62 -42.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -114.95 -16.81 11.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m 63.78 63.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.0 mmt-85 -125.07 174.62 7.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.72 -37.87 0.18 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -22.32 61.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.791 0.329 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -85.26 -0.44 54.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -50.43 -27.89 7.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.3 -29.06 13.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -124.25 32.84 5.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mt -86.27 144.05 27.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.955 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.0 mp -104.52 150.33 24.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -115.25 130.26 56.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.5 t -85.2 140.24 31.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -91.32 45.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.83 -43.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.47 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.9 p -117.98 -13.99 10.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 t70 63.63 48.5 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -95.69 -179.12 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -125.53 122.28 36.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -137.23 135.72 37.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -81.37 171.93 14.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.1 pt -90.96 -0.15 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -127.99 15.76 6.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.2 m -112.67 -24.61 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.07 -169.5 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -169.6 105.5 0.46 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.618 0.723 . . . . 0.0 110.952 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 148.32 86.52 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.337 -0.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -179.75 3.14 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.6 mt -120.62 157.66 53.66 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.613 0.72 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -44.48 2.06 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -169.45 176.77 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.4 mm -51.53 131.43 35.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 0.0 111.164 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 171.61 14.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.25 -72.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.17 -143.88 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.0 mt -83.62 130.81 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -117.6 140.83 49.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.63 160.31 22.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.52 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -96.4 158.87 33.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.52 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.2 Cg_endo -69.73 -23.86 30.48 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -70.73 -19.24 62.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 23.3 m -102.91 -41.59 6.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.8 mt -66.92 -45.21 87.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.95 -16.96 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.77 -37.8 11.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -76.67 -32.99 58.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.4 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -122.0 111.26 16.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.9 mm -116.31 132.52 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.2 t -51.94 151.1 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -103.67 23.07 13.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.5 t -134.22 -41.47 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.4 p -116.8 -12.95 10.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.1 t 58.65 64.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.7 mmt-85 -125.64 168.81 13.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.36 -37.24 0.34 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -59.56 -21.97 61.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.763 0.316 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -86.84 -0.1 55.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -50.15 -27.21 5.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -51.49 -28.45 13.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -123.82 31.86 5.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.63 138.36 31.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mp -98.91 156.67 16.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -119.78 128.86 54.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.1 t -82.98 139.02 33.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -91.19 45.87 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.76 -39.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -125.43 -2.51 7.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 45.5 t0 51.69 56.68 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -101.41 -179.76 4.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.43 122.22 37.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -138.99 134.23 32.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -78.93 -175.23 4.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.5 pt -103.84 -7.11 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -119.05 13.05 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.7 m -110.68 -23.88 10.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.7 mt -69.95 -169.38 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.32 105.6 0.43 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.911 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.29 86.38 Favored 'Cis proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.357 -0.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 170.2 17.1 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.701 2.268 . . . . 0.0 112.358 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.6 mt -111.87 159.4 33.63 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.597 0.713 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -43.6 2.59 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.701 2.267 . . . . 0.0 112.312 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -171.92 -178.81 2.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.4 mm -51.51 131.36 35.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.637 0.732 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 172.61 12.31 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -95.48 -74.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.08 -146.84 0.14 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.2 mt -78.89 130.63 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -117.28 139.69 50.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.8 160.27 21.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.514 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -95.08 158.69 34.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.514 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.7 Cg_endo -69.73 -24.56 29.7 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -18.58 63.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 19.1 m -103.09 -41.93 5.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.2 mt -66.38 -45.1 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.95 -17.48 57.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.07 -44.42 7.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -75.54 -12.42 60.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.8 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.946 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.861 0.362 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -117.1 111.23 19.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.9 mm -112.61 135.5 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.1 t -51.88 151.54 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -102.94 21.63 15.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.2 t -133.75 -41.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.15 -17.68 10.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.4 t 63.6 63.92 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -126.31 166.06 17.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -127.21 -36.24 0.51 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -22.16 61.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -88.12 -0.03 56.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -50.36 -27.03 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.5 -28.34 13.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -124.06 31.66 5.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mt -85.8 142.32 29.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mp -103.14 155.92 18.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -119.63 128.2 53.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.4 t -82.3 139.11 34.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -91.21 45.74 1.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.82 -38.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 p -125.31 -2.56 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 t0 51.62 57.01 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -101.78 -179.72 4.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -124.54 122.27 37.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -139.11 135.31 33.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -80.35 -177.16 6.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.9 pt -101.7 -4.29 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -122.64 14.09 10.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.3 m -110.35 -23.3 11.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.2 mt -72.49 -169.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.2 105.49 0.44 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.612 0.72 . . . . 0.0 110.923 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 148.27 86.49 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.32 -0.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 179.4 3.72 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.4 mt -119.88 159.14 47.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.595 0.712 . . . . 0.0 110.959 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -43.77 2.46 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.708 2.272 . . . . 0.0 112.36 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -172.01 -179.49 2.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.3 mm -51.46 131.47 34.64 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.666 0.746 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 171.65 14.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.264 . . . . 0.0 112.322 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.81 -74.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.71 -146.58 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.8 mt -79.33 130.97 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -117.63 139.93 50.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.21 160.27 21.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.514 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.29 158.71 34.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.514 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.5 Cg_endo -69.76 -24.35 29.78 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.326 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -18.81 62.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.1 m -103.03 -42.01 5.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mt -66.51 -45.27 89.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.9 mt -64.45 -16.82 63.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.3 -45.48 8.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -24.53 60.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.44 168.46 14.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.895 0.379 . . . . 0.0 110.879 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 t -133.38 -42.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.94 120.09 3.88 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.524 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 m 59.08 90.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.8 m -119.45 -175.23 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.72 83.0 1.34 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -170.53 38.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.786 0.327 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 m -146.93 78.34 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.8 t -138.12 105.17 5.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -121.22 144.38 48.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -158.61 140.94 14.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -129.8 129.98 44.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.5 mt -135.27 104.23 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -119.3 49.05 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.01 162.65 34.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -129.19 113.33 14.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.6 mm -116.07 129.25 72.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.9 t -52.1 154.3 2.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -108.1 22.21 16.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.3 t -131.22 -42.89 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.25 -16.92 11.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m 63.84 63.44 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -123.77 -179.91 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.42 -40.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.434 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -22.51 61.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.781 0.324 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -83.74 -0.21 49.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -49.95 -27.9 6.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.53 -28.61 14.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -123.86 32.03 5.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.46 139.56 30.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mp -100.72 155.83 17.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -118.62 129.27 55.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 t -83.42 138.95 33.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -91.29 45.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.49 -39.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.454 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -125.43 -2.46 7.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 51.59 57.06 6.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -102.48 -179.72 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -123.53 122.27 37.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -139.33 132.78 30.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -78.09 179.71 6.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 42.2 pt -94.37 -16.97 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -110.23 13.96 22.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.8 m -111.08 -24.24 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.55 -169.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.42 105.65 0.43 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.719 . . . . 0.0 110.901 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 148.37 86.6 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.341 -0.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 169.38 19.01 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.694 2.263 . . . . 0.0 112.355 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.3 mt -113.57 159.55 35.08 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.589 0.709 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -39.73 6.26 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.658 2.239 . . . . 0.0 112.375 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -173.22 -179.14 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.5 mm -51.47 131.45 34.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.599 0.714 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 172.08 13.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -95.61 -74.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.02 -144.85 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.0 mt -81.77 130.96 34.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -117.48 139.84 50.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.05 160.26 21.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.515 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.35 158.71 34.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.663 0.744 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.515 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.7 Cg_endo -69.75 -24.31 29.87 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -18.86 62.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.5 m -103.09 -41.99 5.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.3 mt -66.52 -45.11 89.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.32 -16.75 63.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.22 -47.73 7.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -29.88 65.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -52.25 -57.73 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.61 109.11 7.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -127.75 154.76 77.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.649 0.738 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 169.38 19.08 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.707 2.271 . . . . 0.0 112.333 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 81.72 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.631 2.221 . . . . 0.0 112.348 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -174.28 32.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -147.65 36.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -111.16 132.88 53.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.79 -136.5 3.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -110.27 143.77 39.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.73 165.89 18.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.06 169.43 18.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -128.4 109.6 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.1 t -52.58 156.84 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -81.22 159.1 24.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.23 168.82 0.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -112.54 142.19 45.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.0 m -104.79 94.93 5.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.22 -26.36 13.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 m 58.07 78.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 148.32 73.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 143.13 49.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.627 2.218 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.0 m 60.27 -177.74 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 m -165.5 118.12 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.123 -0.82 . . . . 0.0 112.461 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.22 167.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 0.0 110.844 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.96 -172.49 3.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.83 124.93 0.83 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t -161.99 100.95 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 110.898 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.68 96.55 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.45 -81.41 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.56 163.78 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.804 0.335 . . . . 0.0 110.847 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.71 97.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.77 150.5 28.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.98 111.44 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -142.07 146.35 35.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -153.64 130.79 11.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 mp -102.43 124.39 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -89.8 48.87 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.7 m -151.45 161.13 43.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -127.26 112.96 15.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.1 mm -116.43 129.14 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.8 t -52.2 154.45 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -108.15 22.13 16.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.3 t -131.39 -42.61 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.38 -17.0 11.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m 63.82 63.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.1 mmt-85 -123.63 179.95 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.34 -40.39 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -59.16 -22.57 61.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.766 0.317 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -83.68 -0.18 49.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -49.94 -27.92 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -51.56 -28.56 14.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -123.81 32.18 5.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mt -86.91 141.22 28.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mp -102.49 155.66 18.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -118.99 128.09 54.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.6 t -82.46 139.16 34.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -91.27 45.66 1.26 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.64 -38.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 p -124.97 -3.1 7.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.5 t70 51.77 57.16 6.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -103.03 -179.77 4.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -123.52 122.24 37.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -138.92 133.82 32.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -79.2 179.46 7.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.9 pt -95.16 -14.18 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -113.24 14.53 19.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.9 m -111.32 -23.98 10.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.49 -169.44 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.47 105.61 0.42 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.61 0.719 . . . . 0.0 110.953 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 148.28 86.45 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.319 -0.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 172.2 13.02 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.7 mt -115.34 159.78 36.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.717 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -41.17 4.58 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.709 2.273 . . . . 0.0 112.362 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -173.01 -179.13 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.4 mm -51.53 131.44 35.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.636 0.732 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 171.89 13.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -95.04 -74.95 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.48 -145.56 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 88.6 mt -80.39 131.38 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -118.05 140.21 50.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.61 160.28 22.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.515 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -95.56 158.76 33.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.649 0.738 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.515 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.4 Cg_endo -69.81 -24.16 29.74 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.319 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -70.58 -18.93 62.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.9 m -102.97 -41.92 5.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.7 mt -66.68 -45.35 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.6 mt -65.47 -16.99 64.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.71 -48.19 6.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -27.83 65.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.8 t -75.18 92.38 2.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.7 mttt 58.19 -176.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -170.03 156.64 5.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.532 0.682 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 164.63 33.85 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.704 2.269 . . . . 0.0 112.351 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 83.63 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.673 2.248 . . . . 0.0 112.392 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.53 35.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -146.59 128.21 15.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -144.42 101.48 3.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.71 135.94 7.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.523 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -94.01 121.33 35.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.97 114.93 8.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -169.8 -45.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.09 -26.06 63.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 58.29 42.55 21.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -59.37 174.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 60.26 -179.35 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 60.41 173.9 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.8 m -99.29 149.13 23.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tp -161.49 152.1 17.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 94.0 p -171.84 142.62 1.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -130.14 159.95 22.83 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 148.92 66.18 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.686 2.258 . . . . 0.0 112.346 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -99.53 58.54 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.5 176.48 6.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.494 -179.945 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.4 173.36 7.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 m -97.96 163.53 12.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.21 149.03 17.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 m -125.48 -38.81 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.864 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -129.69 141.26 50.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.48 112.21 1.24 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -108.56 70.19 0.74 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.813 0.34 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.96 109.13 21.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.42 110.97 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.5 111.83 20.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.6 155.45 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -154.38 -170.06 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.6 mt -143.82 112.87 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -142.8 32.99 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 m -93.99 -171.54 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -131.15 112.9 13.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.6 mm -116.35 129.02 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 t -51.98 154.2 2.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -108.01 22.21 16.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -131.38 -42.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.3 -17.02 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 m 63.88 63.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.8 mmt85 -123.72 -179.95 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.46 -40.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.24 -22.54 61.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -83.61 -0.12 49.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -49.97 -27.95 6.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -28.66 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -123.81 32.25 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.66 140.3 29.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mp -101.48 155.73 17.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -118.76 128.84 54.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 t -82.78 139.18 33.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -91.33 45.69 1.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.7 -39.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.478 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.23 -2.78 7.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.7 t0 51.71 56.99 7.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -102.29 -179.77 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -123.33 122.31 38.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -139.47 132.77 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -78.12 -179.44 6.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 42.0 pt -95.54 -16.71 7.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -110.47 14.33 22.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.7 m -111.36 -23.74 10.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.3 -169.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.41 105.62 0.43 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.632 0.73 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 148.3 86.4 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.667 -1.806 . . . . 0.0 112.358 -0.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.35 19.13 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.2 mt -113.12 159.48 34.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.637 0.732 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -39.95 5.84 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.65 2.234 . . . . 0.0 112.361 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -173.26 -179.15 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.4 mm -51.49 131.48 35.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.728 . . . . 0.0 111.153 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 171.87 13.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.66 -74.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.17 -144.12 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.9 mt -82.72 131.12 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 111.101 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -117.54 140.09 50.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.46 160.3 21.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.514 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.36 158.67 34.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.514 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.9 Cg_endo -69.74 -24.38 29.84 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -70.5 -18.73 62.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 19.6 m -103.06 -42.16 5.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.3 mt -66.5 -45.38 89.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.18 -16.83 63.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.32 -37.0 11.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -78.9 -26.78 43.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.1 t -52.33 -29.96 26.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -56.77 176.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 64.37 154.11 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.618 0.723 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 168.68 20.85 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 79.46 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.308 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -173.45 37.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -167.41 41.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.071 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -116.25 -58.75 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.5 -95.59 0.16 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -98.97 130.09 45.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -96.99 158.59 15.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -101.9 40.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 62.33 94.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.9 t -65.19 152.14 44.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -149.43 84.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -140.73 54.16 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 55.67 90.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.925 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.0 p -85.01 94.13 8.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.4 mt -79.38 169.65 17.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.5 m -98.31 -69.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.57 165.08 30.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -18.52 37.38 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.39 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.1 m 58.08 74.67 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.71 142.4 32.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.469 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 p -153.93 126.29 7.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.359 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.49 139.01 3.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.93 168.9 31.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.4 p -169.56 149.42 3.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -150.11 172.12 15.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.81 127.59 1.75 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -175.72 93.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.11 148.0 43.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.08 169.22 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.75 -53.12 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 56.87 -172.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -160.72 150.7 17.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 mp -93.28 108.22 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.4 34.89 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 m -137.12 -177.54 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -129.08 113.63 15.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.7 mm -116.28 131.58 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.6 t -54.74 153.73 5.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -107.43 22.86 15.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -132.45 -42.37 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.59 -16.76 11.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m 63.77 63.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -124.82 175.74 7.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -136.9 -38.23 0.16 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -22.36 61.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.742 0.306 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -85.08 -0.32 54.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -50.51 -27.94 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.28 -29.04 13.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -124.23 32.82 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mt -86.17 143.34 28.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 mp -103.92 149.91 24.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -113.82 131.63 56.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.6 t -87.54 138.42 31.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -91.1 46.14 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.01 -39.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.521 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.9 p -125.76 -2.23 7.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 110.823 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 47.5 t0 51.69 56.14 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -102.25 -179.77 4.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -125.42 122.29 36.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -137.63 135.8 36.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -81.53 170.81 15.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.9 pt -89.96 -0.5 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -127.76 16.11 6.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.5 m -113.13 -24.51 9.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 mt -71.05 -169.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -169.61 105.51 0.46 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.613 0.721 . . . . 0.0 110.923 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 148.28 86.32 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.337 -0.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 178.45 4.54 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.0 mt -118.58 157.78 48.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.616 0.722 . . . . 0.0 110.945 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -44.36 2.11 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.383 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -169.85 176.66 4.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.7 mm -51.51 131.4 35.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.679 0.752 . . . . 0.0 111.148 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 173.5 10.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -96.97 -74.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.05 -144.53 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.4 mt -81.99 130.87 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -117.37 140.13 49.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.41 160.27 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.519 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.6 p -96.41 158.84 33.18 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.685 0.755 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.519 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.6 Cg_endo -69.78 -23.47 30.68 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -19.76 62.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 28.6 m -102.65 -41.34 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.0 mt -66.84 -45.26 88.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.8 mt -66.09 -17.01 64.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.51 -49.35 6.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -70.08 -31.03 68.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.34 179.44 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 58.04 -178.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -78.44 154.92 79.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 162.07 43.52 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.715 2.276 . . . . 0.0 112.317 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 79.07 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -167.22 29.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.58 128.26 21.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.072 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -88.95 -38.6 14.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.94 139.78 2.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.463 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -139.76 133.79 30.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -115.41 34.6 4.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -115.04 135.95 53.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -170.31 115.03 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.2 p -83.48 84.03 7.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.72 64.08 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -110.97 42.09 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -94.49 -31.92 13.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.2 t -89.58 122.95 33.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.1 tp -90.12 134.05 34.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.89 128.64 33.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -154.68 67.19 0.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.447 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 107.14 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.629 2.219 . . . . 0.0 112.323 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.21 97.89 6.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.8 m 57.34 46.07 19.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.493 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 52.58 32.64 12.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 0.0 110.812 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -67.4 176.65 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.64 107.38 0.29 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 p -126.07 100.9 6.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.918 0.389 . . . . 0.0 110.846 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.06 177.76 8.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.18 146.37 5.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.488 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -133.02 148.6 52.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.74 -179.61 3.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.827 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 t -99.86 -176.89 3.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.01 132.14 34.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -168.45 179.87 4.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -165.44 124.79 1.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.0 mp -105.53 134.71 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -92.92 50.38 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.03 -179.11 6.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -117.16 112.94 21.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.2 mm -116.18 129.04 73.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.4 t -52.01 154.54 2.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -108.24 21.93 16.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.1 t -131.18 -42.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -115.24 -17.05 11.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 m 63.86 63.4 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -123.59 179.98 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.39 -40.2 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -22.61 61.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.324 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -83.7 -0.26 50.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -50.05 -28.09 6.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -51.54 -28.72 14.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -123.85 32.47 5.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.9 140.86 29.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 mp -101.81 152.86 20.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -116.51 129.64 56.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 t -84.13 139.05 32.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -91.18 45.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.63 -39.12 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -125.47 -2.45 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.0 t0 51.65 56.47 7.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.809 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -101.43 -179.83 4.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -124.49 122.27 37.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -139.0 133.69 32.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -79.4 176.43 9.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.9 pt -92.73 -10.67 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -117.94 17.88 14.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.9 m -114.25 -23.8 9.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.8 mt -71.85 -169.33 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.01 105.44 0.44 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.62 0.724 . . . . 0.0 110.936 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 148.25 86.34 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.361 -0.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 176.31 6.94 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.694 2.263 . . . . 0.0 112.377 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.84 158.42 45.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -41.95 3.9 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.329 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -171.95 178.57 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.8 mm -51.41 131.42 34.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 171.45 14.41 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.37 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -95.67 -73.64 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.15 -144.27 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.448 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 91.2 mt -82.71 131.05 34.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -117.69 140.42 49.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.81 160.13 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.52 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.6 p -95.35 158.77 34.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.52 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.0 Cg_endo -69.73 -24.61 29.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -70.44 -18.79 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.3 m -102.82 -42.39 5.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.3 mt -66.4 -45.24 89.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.8 mt -66.16 -17.29 64.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.06 -48.54 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.056 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -29.33 67.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 40.7 t -55.49 -66.22 0.45 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -77.18 79.45 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.48 158.64 56.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.624 0.726 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 165.03 32.32 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.719 2.28 . . . . 0.0 112.337 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 83.7 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.313 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -175.32 35.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.56 65.93 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -147.05 123.4 10.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.45 122.92 5.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -91.74 -33.07 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 59.84 81.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -166.7 -55.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 59.34 179.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.8 m 59.63 96.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.44 118.43 6.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -81.26 128.1 33.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.96 104.82 7.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 86.4 p -77.33 135.68 38.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.1 tp -74.76 134.57 41.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.994 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.2 m -105.8 134.67 48.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -130.04 -165.8 11.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.536 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 121.1 7.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 t -146.62 -62.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 p -124.16 137.13 54.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.498 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -170.25 101.86 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 110.898 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.91 170.27 9.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.7 -63.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.522 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.51 125.8 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 0.0 110.844 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 p -171.33 128.05 0.68 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.45 -127.94 2.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -140.69 138.13 34.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.3 m -128.04 95.14 4.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.4 t -56.62 126.74 28.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.86 -175.26 4.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.39 124.11 51.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.22 98.83 10.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.8 mt -67.42 117.99 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -143.73 74.87 1.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.84 173.53 12.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -125.23 111.44 15.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.3 mm -114.11 132.77 62.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.4 t -56.0 153.78 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -107.18 22.67 15.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.3 t -132.46 -42.77 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -115.1 -16.82 11.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m 63.77 63.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -125.05 174.89 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.96 -37.99 0.18 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.36 -22.29 61.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -85.25 -0.44 54.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -50.37 -28.05 7.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.26 -28.94 13.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mttp -124.26 32.82 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mt -86.36 143.83 27.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.0 mp -104.29 150.22 24.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -115.15 130.11 56.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.3 t -85.0 140.16 31.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -91.32 46.08 1.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.03 -43.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.1 p -118.02 -14.08 9.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.795 0.331 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.9 t0 63.62 48.85 3.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -96.12 -179.35 4.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -125.28 122.25 36.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -137.23 135.77 37.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -81.31 171.99 14.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.0 pt -91.12 -0.17 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -127.94 15.6 6.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.4 m -112.46 -24.66 9.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.03 -169.33 0.35 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -169.8 105.47 0.45 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.617 0.723 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 148.24 86.32 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.323 -0.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -179.5 2.95 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.5 mt -120.88 157.7 54.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -44.54 2.02 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -169.49 176.74 4.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.4 mm -51.53 131.44 35.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 171.15 15.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.258 . . . . 0.0 112.345 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -95.88 -72.36 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.27 -143.26 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 88.6 mt -84.35 131.46 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.159 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -118.21 141.0 48.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.89 160.32 22.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.52 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -96.49 158.93 32.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.52 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.0 Cg_endo -69.77 -23.79 30.36 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.73 2.287 . . . . 0.0 112.328 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -70.7 -19.29 62.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 26.5 m -102.86 -41.55 6.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.2 mt -66.92 -45.31 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.98 -17.36 64.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.12 -44.02 9.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.45 -28.2 61.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.4 t -52.0 -34.88 44.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -74.23 113.32 11.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.19 161.86 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.663 0.744 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 161.56 45.46 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 79.65 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -171.69 35.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -149.98 100.51 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.063 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -98.15 -35.66 10.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.46 67.36 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.96 166.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.82 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -135.18 108.6 7.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -132.5 143.43 49.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 56.92 -175.79 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.4 m -154.73 -52.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.01 167.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.52 110.29 22.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -81.86 75.43 8.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.8 m -153.46 61.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 61.31 99.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.45 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.416 ' N ' ' HD2' ' A' ' 89' ' ' PRO . . . -58.55 -62.46 6.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 54.0 Cg_endo -69.78 -17.09 37.69 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.636 2.224 . . . . 0.0 112.37 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.67 100.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.37 42.94 24.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.496 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 p -151.67 -74.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 0.0 110.859 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t -118.08 123.56 45.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.24 157.15 10.87 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.514 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.58 -175.83 3.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.908 0.385 . . . . 0.0 110.815 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.09 92.3 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.916 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.84 120.33 5.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.517 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -84.54 169.75 14.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 m -99.51 47.83 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -118.66 100.27 7.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.06 144.15 31.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -148.69 147.83 29.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -148.26 119.45 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.6 mp -105.47 150.59 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.56 52.55 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.91 174.12 6.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -117.85 112.88 20.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.2 mm -116.4 128.96 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 t -51.92 154.29 2.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -108.07 22.17 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.5 t -131.5 -42.52 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.35 -17.13 11.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 m 63.94 63.4 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -123.71 -179.97 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.44 -40.48 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -22.51 60.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -83.59 -0.25 49.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -49.96 -27.88 6.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.52 -28.6 14.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -123.88 32.15 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.57 140.67 29.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mp -101.84 155.75 17.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -118.76 128.85 54.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.8 t -83.0 139.03 33.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -91.31 45.81 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.72 -38.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.35 -2.57 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 t0 51.48 57.22 6.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -102.65 -179.87 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -123.32 122.26 37.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -139.27 132.84 30.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -78.18 -179.28 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.1 pt -95.7 -16.57 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -110.68 14.37 22.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.4 m -111.39 -23.91 10.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.0 mt -70.17 -169.35 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.47 105.56 0.42 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.637 0.732 . . . . 0.0 110.953 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 148.3 86.36 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.38 -0.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 169.35 19.2 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.8 mt -112.92 159.52 34.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -40.12 5.67 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.315 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -173.27 -179.17 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.4 mm -51.47 131.46 34.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 111.153 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 172.08 13.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.303 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.63 -74.7 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.05 -145.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.438 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.9 mt -81.48 130.9 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 74.1 t90 -117.39 140.01 50.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.26 160.22 22.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.514 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.35 158.69 34.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.592 0.711 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.514 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.0 Cg_endo -69.76 -24.1 30.06 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -70.66 -18.9 62.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.5 m -103.11 -41.76 5.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.5 mt -66.88 -45.09 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.169 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.3 mt -65.89 -16.95 64.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.27 -40.27 10.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -77.18 -26.16 52.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.4 t -51.9 -41.62 62.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.19 137.72 49.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -142.68 155.02 63.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.656 0.741 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 164.47 34.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 81.22 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -177.62 35.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.88 123.68 4.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -115.55 177.86 4.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.21 133.92 6.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -161.81 146.21 12.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -151.64 149.35 29.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -141.37 126.89 18.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -148.65 27.12 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.3 t -149.22 152.19 35.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.17 -34.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 61.55 173.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -81.14 -44.1 18.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.6 t 56.83 47.59 17.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.8 137.58 40.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.7 m -97.72 -29.29 13.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 56.37 64.81 4.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -44.17 2.25 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.695 2.263 . . . . 0.0 112.381 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.21 32.85 22.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.07 119.0 16.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.536 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.25 172.19 15.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 m -158.12 131.42 7.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.29 -154.91 13.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -130.91 132.42 45.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.35 . . . . 0.0 110.88 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 p -104.8 168.91 8.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.2 139.31 10.87 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.512 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 62.19 -173.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.9 p -143.33 -55.3 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.0 142.29 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.02 80.63 1.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -119.01 158.9 24.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -154.73 103.78 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mp -92.02 91.18 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -105.56 54.98 0.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.0 m -141.6 -178.25 5.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -132.35 112.98 12.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.4 mm -116.05 128.83 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 t -51.96 154.31 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -108.07 22.2 16.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.9 t -131.33 -42.76 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.26 -17.04 11.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m 63.94 63.36 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -123.18 179.94 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.36 -41.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.447 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.09 -22.57 61.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -83.23 -0.09 47.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -50.09 -27.65 5.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -28.85 12.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.7 mttp -123.85 32.69 5.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mt -87.33 138.49 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mp -99.48 155.9 17.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -118.93 128.85 54.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.8 t -82.7 139.31 33.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -91.43 45.58 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.58 -38.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.26 -2.66 7.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.363 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.7 t0 51.64 56.98 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -102.3 -179.75 4.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -123.35 122.24 37.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -139.39 132.66 29.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -78.13 179.98 6.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.9 pt -94.62 -17.25 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -110.21 14.56 22.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.7 m -111.6 -23.89 10.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.6 mt -70.21 -169.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.41 105.61 0.43 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.653 0.739 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 148.27 86.43 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.339 -0.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 169.56 18.57 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.685 2.257 . . . . 0.0 112.355 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.8 mt -113.47 159.5 35.1 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.634 0.73 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -39.8 6.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -173.4 -179.1 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.5 mm -51.42 131.43 34.32 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 0.0 111.163 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 171.99 13.47 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.715 2.277 . . . . 0.0 112.316 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.6 -74.48 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.09 -144.57 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.8 mt -82.02 131.03 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.143 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -117.49 139.97 50.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.23 160.26 21.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.514 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.39 158.68 34.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.609 0.719 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.514 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.2 Cg_endo -69.72 -24.28 30.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.44 -18.93 63.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.8 m -103.04 -42.0 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.6 mt -66.64 -45.26 88.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.47 -16.95 64.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.73 -45.39 8.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -73.89 -26.9 60.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.1 -62.08 1.88 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.71 103.7 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -138.66 155.25 73.53 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.542 0.686 . . . . 0.0 110.943 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.08 25.5 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 80.52 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -173.11 31.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -142.58 26.71 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.096 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 58.68 177.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.92 90.85 0.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -125.75 176.44 6.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.2 165.69 35.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -110.98 77.04 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -113.06 122.31 47.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.3 t -70.48 155.98 39.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -146.19 -74.81 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 57.69 93.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -139.07 96.05 3.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.86 147.65 27.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 32.9 mt -58.36 114.77 2.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.48 39.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 160.62 -166.9 35.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 164.95 32.7 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.361 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.1 m -84.52 -51.2 7.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.5 m 61.26 48.17 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.5 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.424 -0.27 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.85 -43.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 t 58.09 28.9 17.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.24 85.65 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.4 129.1 35.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.878 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -179.31 159.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.21 161.66 9.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.97 155.61 20.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 m -153.95 43.64 0.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.35 135.25 15.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.92 104.64 4.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -100.23 153.19 19.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -157.3 116.34 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.6 mp -107.62 150.5 10.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.59 26.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.77 145.62 48.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -121.06 113.53 20.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.0 mm -117.75 128.02 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.3 t -52.0 150.92 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -105.34 22.65 15.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.7 t -130.68 -42.77 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.0 p -115.81 -16.58 11.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m 63.82 63.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -123.78 -179.97 4.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.71 -40.53 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -22.58 61.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -83.44 -0.22 49.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -49.94 -27.84 5.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.65 -28.36 14.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -123.88 31.8 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.35 140.98 29.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mp -102.2 155.83 17.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -118.67 129.03 55.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.0 t -83.45 138.98 33.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -91.22 45.76 1.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.55 -39.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.1 p -125.19 -2.82 7.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.322 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 51.74 56.8 7.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -102.52 -179.7 4.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -123.46 122.27 37.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -139.22 132.76 30.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.6 m170 -77.77 -178.44 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.1 pt -96.9 -16.52 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -110.36 13.64 22.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.5 m -110.86 -24.38 10.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.33 -169.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.47 105.67 0.42 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.639 0.733 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 148.28 86.38 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.72 -1.783 . . . . 0.0 112.354 -0.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.63 21.02 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.2 mt -112.39 159.42 34.05 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.66 0.743 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -40.31 5.52 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.734 2.289 . . . . 0.0 112.334 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -172.94 -179.19 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.4 mm -51.48 131.41 34.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 172.19 13.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -95.65 -74.83 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.1 -145.57 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.7 mt -80.85 130.7 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.123 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -117.33 139.91 50.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.01 160.25 21.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.514 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -95.39 158.63 34.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.671 0.748 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.514 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.7 Cg_endo -69.72 -24.16 30.18 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.337 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -18.82 62.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.9 m -103.14 -41.91 5.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.7 mt -66.84 -45.17 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.76 -17.04 64.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.66 -45.33 9.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -72.61 -31.49 65.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.6 t -64.87 -65.91 0.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -78.31 132.72 37.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.26 154.48 29.74 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 160.37 49.96 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 78.59 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.663 2.242 . . . . 0.0 112.361 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -179.3 34.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -164.19 82.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -66.57 -45.18 80.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 111.32 172.17 19.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.72 -31.91 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.34 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -100.12 112.14 24.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.01 -51.63 7.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 63.76 166.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.72 -67.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.5 93.92 9.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.82 99.31 5.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -101.78 134.28 45.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.0 m -152.86 -55.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -166.61 49.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.35 157.31 29.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -162.82 158.78 31.1 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.443 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 129.49 17.68 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.258 . . . . 0.0 112.363 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.64 167.86 20.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 p -135.46 147.69 49.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.493 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m -110.73 174.04 6.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.9 0.381 . . . . 0.0 110.845 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -167.82 145.3 4.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.58 93.4 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.7 p -142.95 -178.82 6.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.85 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.38 145.65 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.21 171.76 22.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.24 174.03 7.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.34 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.63 106.94 13.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 p -112.65 126.88 55.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.96 125.52 50.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -171.14 170.13 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -156.34 137.34 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.8 mp -102.77 112.26 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -113.69 58.57 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.821 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -168.73 175.95 5.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -119.67 112.74 19.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.6 mm -116.6 129.02 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.18 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.4 t -52.38 154.11 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -107.87 22.39 16.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.5 t -131.77 -42.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.54 -16.95 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m 63.89 63.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -124.36 177.17 6.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.88 -39.44 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -59.26 -22.37 61.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -84.35 -0.14 51.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -50.12 -28.01 6.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -28.42 14.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -123.9 31.96 5.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.45 143.44 27.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 mp -104.95 152.66 22.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -115.96 129.74 56.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.0 t -84.79 139.17 32.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -91.39 45.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.13 -39.13 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.3 p -125.14 -2.85 7.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.0 t0 51.7 56.25 8.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -102.33 -179.58 4.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -124.23 122.31 37.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -138.33 134.3 34.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -79.94 175.74 10.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.4 pt -93.22 -7.35 10.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -120.93 16.83 11.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.0 m -113.31 -23.76 9.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.2 mt -72.17 -169.46 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.06 105.55 0.44 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.718 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 148.25 86.31 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.355 -0.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -177.96 2.11 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.312 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.3 mt -124.05 159.37 56.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -43.55 2.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -171.45 179.91 2.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.1 mm -51.56 131.42 35.69 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 173.1 11.5 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -96.13 -74.92 0.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.36 -145.17 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 91.1 mt -80.86 131.13 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.813 0.34 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -117.84 140.3 49.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.74 160.28 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.516 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.4 p -95.99 158.67 33.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.516 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.3 Cg_endo -69.74 -24.0 30.27 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.256 . . . . 0.0 112.363 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -19.21 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.8 m -102.72 -42.06 6.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.8 mt -66.56 -45.41 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.1 mt -66.01 -17.26 64.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.16 -47.35 8.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -70.45 -36.74 74.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 39.5 t -60.4 -70.08 0.19 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -58.43 104.61 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.29 161.77 0.12 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.583 0.706 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 159.66 52.61 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 76.32 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.338 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.52 25.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.82 24.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.56 157.18 44.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -173.75 38.57 0.13 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 61.11 174.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -56.95 105.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -135.92 140.56 44.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.58 102.03 7.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.2 t -98.67 -25.99 14.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -30.2 58.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.37 154.43 45.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -138.96 151.69 47.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.6 p -164.37 121.11 1.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 pp -69.89 -28.82 65.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 t -80.9 172.0 14.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.42 -177.06 22.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.514 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -47.66 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.735 2.29 . . . . 0.0 112.319 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m 58.89 43.52 17.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.99 -37.82 16.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.89 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.449 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 m -81.65 -62.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.878 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 p -107.62 67.3 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.23 41.73 0.79 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 t -171.02 -60.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.92 0.391 . . . . 0.0 110.877 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 m 59.58 73.66 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.813 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.07 -140.99 0.45 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.64 155.61 39.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.755 0.312 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.2 p -152.07 79.69 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.97 137.43 32.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -163.97 45.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -72.78 128.98 37.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -149.37 138.19 21.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.1 mt -99.88 147.75 7.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.12 28.36 3.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.95 -171.54 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -118.14 111.27 18.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.6 mm -114.27 131.76 65.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.1 t -55.23 153.87 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -107.34 22.61 15.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.6 t -132.2 -42.66 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -115.45 -16.62 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m 63.81 63.31 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -124.97 174.57 7.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.71 -38.08 0.18 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.432 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -59.4 -22.24 61.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.815 0.341 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -85.47 -0.34 54.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -50.38 -27.8 6.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.2 -29.02 12.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -124.16 32.55 5.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mt -86.0 144.05 27.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.1 mp -104.79 150.72 24.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -115.37 130.5 56.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.9 t -85.23 140.4 30.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -91.44 45.7 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.72 -43.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.0 p -117.94 -14.19 10.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.9 t0 63.55 48.77 3.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -96.48 -179.2 4.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -124.92 122.32 37.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -137.0 135.86 37.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -81.24 171.95 14.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.5 pt -90.65 -4.27 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -123.63 14.63 9.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.2 m -111.32 -24.01 10.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.1 mt -71.57 -169.42 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.0 105.45 0.44 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.654 0.74 . . . . 0.0 110.968 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 148.28 86.56 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.326 -0.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -179.19 2.72 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.354 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.1 mt -121.97 158.39 55.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.631 0.729 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -44.05 2.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -170.26 177.93 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.4 mm -51.52 131.38 35.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.584 0.707 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 171.77 13.86 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.665 2.244 . . . . 0.0 112.327 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -96.21 -72.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.25 -143.49 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.493 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.3 mt -84.04 131.21 34.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -117.98 140.96 48.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.78 160.31 22.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.52 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 11.9 p -96.58 158.9 32.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.52 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.6 Cg_endo -69.71 -23.65 30.8 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.676 2.25 . . . . 0.0 112.333 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -70.53 -19.59 62.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 33.3 m -102.89 -41.43 6.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.1 mt -66.68 -45.24 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 53.3 mt -65.43 -17.11 64.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.63 -34.0 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -81.52 -28.95 33.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.92 -35.24 58.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -56.55 129.67 41.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -65.31 154.87 86.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.588 0.708 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 161.4 46.06 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.697 2.264 . . . . 0.0 112.362 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 78.74 0.98 Allowed 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.722 2.282 . . . . 0.0 112.323 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.2 37.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -122.21 175.4 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -160.64 -178.71 7.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.19 -159.38 21.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -88.34 -32.31 18.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 63.03 40.7 8.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -120.94 48.62 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.12 109.83 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.0 -33.73 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -57.65 -33.53 68.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -131.12 111.72 12.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -67.51 140.76 57.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.16 115.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 tp -167.29 81.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.2 p -170.12 137.59 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 146.33 158.02 7.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.474 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -44.39 2.11 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.648 2.232 . . . . 0.0 112.376 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.16 -55.47 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.1 t 56.31 42.35 27.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.466 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.28 167.09 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.841 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.71 -46.1 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.41 117.2 0.81 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 t -69.8 148.23 49.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -107.03 138.84 42.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.821 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.14 -179.29 42.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -94.56 102.96 14.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 t -172.18 117.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.0 p -124.57 133.81 53.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.807 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -122.67 30.4 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.083 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -120.89 167.73 12.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -116.12 122.94 46.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.9 mm -95.12 150.62 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.53 64.36 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 t 58.76 -178.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -124.06 114.25 19.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.3 mm -116.97 129.2 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.9 t -52.16 154.41 2.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -108.15 22.07 16.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.2 t -131.38 -42.59 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.28 -17.09 11.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.88 63.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -123.8 179.99 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.4 -40.41 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -22.55 61.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.738 0.304 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -83.61 -0.14 49.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -49.94 -27.95 6.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -51.5 -28.54 13.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -123.91 32.12 5.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.62 140.28 30.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mp -101.5 155.69 17.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -118.91 128.8 54.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.7 t -83.14 139.24 33.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -91.37 45.6 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.37 -38.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.0 p -125.26 -2.65 7.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t0 51.53 56.82 7.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -102.45 -179.72 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -123.43 122.38 38.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -139.28 132.8 30.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -78.21 -179.35 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.819 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.4 pt -95.71 -16.24 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -111.07 14.58 21.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.2 m -111.58 -23.91 10.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.0 mt -70.15 -169.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.3 105.57 0.43 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.552 0.691 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 148.31 86.38 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.339 -0.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 169.53 18.81 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.656 2.237 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.0 mt -112.93 159.48 34.38 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -40.03 5.7 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.292 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -173.38 -179.24 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.5 mm -51.48 131.47 34.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.664 0.745 . . . . 0.0 111.133 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 172.18 13.13 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.239 . . . . 0.0 112.368 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.1 mtt85 -95.45 -74.78 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.54 -146.29 0.11 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.2 mt -79.83 130.59 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 111.132 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -117.31 139.75 50.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.96 160.21 21.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.515 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.3 158.73 34.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.711 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.515 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.7 Cg_endo -69.74 -24.27 29.95 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.691 2.26 . . . . 0.0 112.389 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -18.77 62.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.9 m -103.15 -41.95 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.7 mt -66.79 -45.28 88.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.68 -17.12 64.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.07 -44.97 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -73.33 -33.79 65.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.1 t -52.15 141.69 18.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.79 95.25 7.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -70.34 158.19 88.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.589 0.709 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 159.81 52.05 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.706 2.27 . . . . 0.0 112.314 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 76.65 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.258 . . . . 0.0 112.353 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -161.32 25.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -146.36 126.48 13.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -110.39 83.45 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -150.43 -118.5 0.87 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.532 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 57.89 66.59 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -106.01 60.36 0.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -124.33 106.56 10.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.97 103.89 15.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.81 104.73 4.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.24 171.79 8.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -93.63 168.89 10.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -157.49 104.07 1.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 m -58.72 117.46 4.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.834 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 58.92 178.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -73.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.04 -176.1 22.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -30.84 21.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.266 . . . . 0.0 112.31 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.4 t -135.69 158.73 43.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.0 t -62.12 109.88 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.453 -179.947 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -93.88 142.68 27.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.888 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 p -52.95 -62.56 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.64 -152.83 16.92 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.09 177.8 8.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.84 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.1 -71.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.77 174.03 20.05 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.452 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -118.73 162.25 18.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.795 0.331 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 p -133.33 135.52 44.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 m -97.98 112.83 24.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -144.13 33.03 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -131.54 128.56 39.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -157.46 136.94 12.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 mp -82.59 126.38 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -120.93 63.1 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.61 169.3 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -112.18 111.13 21.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.969 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.9 mm -110.6 135.18 50.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.1 t -51.97 149.62 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -101.31 20.71 15.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.0 t -131.56 -42.12 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.6 p -116.35 -16.86 10.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.9 t 63.65 63.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -125.64 167.25 15.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -128.55 -35.56 0.49 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -22.27 61.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -88.5 -0.25 57.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -50.28 -27.58 6.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.31 -28.98 13.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -124.16 32.28 5.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 mt -85.27 143.25 28.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 mp -104.0 149.78 24.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -114.08 131.75 56.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.2 t -87.36 138.54 31.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -91.31 45.9 1.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.9 -39.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 p -125.76 -2.06 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t0 51.64 55.94 8.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -101.23 -179.66 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.39 122.29 34.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -138.52 136.71 36.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 44.2 m170 -82.09 171.91 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.3 pt -90.29 -0.0 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -128.15 14.58 6.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.0 m -111.38 -24.72 10.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.8 mt -70.92 -169.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -169.8 105.5 0.45 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.598 0.713 . . . . 0.0 110.96 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 148.35 86.49 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.314 -0.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 179.16 3.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.674 2.25 . . . . 0.0 112.334 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.0 mt -119.44 158.01 50.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -44.45 2.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -169.44 176.65 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.7 mm -51.64 131.49 36.46 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.666 0.746 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 172.37 12.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.306 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -95.91 -74.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.98 -146.09 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.513 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.0 mt -80.12 130.63 35.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 111.121 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 74.1 t90 -117.29 139.76 50.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.84 160.25 21.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.518 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.0 p -96.25 158.87 33.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.616 0.722 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.518 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.0 Cg_endo -69.75 -23.75 30.47 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.358 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -70.4 -19.64 62.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 30.9 m -102.81 -41.61 6.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.4 mt -66.76 -45.02 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.9 mt -66.63 -17.24 64.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.79 -48.48 7.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -26.52 63.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 m -64.14 -55.16 23.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -117.2 110.04 17.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -122.85 159.13 54.93 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.603 0.716 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 167.47 24.34 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 2.262 . . . . 0.0 112.324 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 80.68 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.671 2.248 . . . . 0.0 112.336 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -177.76 37.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.3 111.04 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -164.02 130.01 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.0 117.99 1.36 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.32 117.48 27.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.888 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.78 102.96 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -92.1 55.04 2.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -129.98 29.95 4.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.083 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.97 -59.28 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -106.67 137.52 44.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.6 143.19 50.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -122.06 33.43 5.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.944 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.5 t 58.71 87.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 mt -78.35 -37.32 44.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 p -67.44 101.04 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.821 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -145.17 66.84 0.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 95.83 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.704 2.27 . . . . 0.0 112.352 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.0 m 56.9 40.42 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -35.64 60.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.441 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -119.64 145.11 46.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.906 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.33 99.81 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.22 98.77 0.11 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.455 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 p -66.76 179.15 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -136.58 134.23 37.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.72 59.5 0.36 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -112.67 128.63 56.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.337 . . . . 0.0 110.833 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.9 p -165.27 106.59 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -130.55 160.87 32.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.9 136.31 53.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -138.66 126.18 21.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -160.46 58.46 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.2 mt -89.73 125.36 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -156.76 63.0 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.5 159.38 41.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -131.94 111.26 11.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.948 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.1 mm -113.51 131.77 64.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.8 t -51.86 150.52 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -103.04 21.64 15.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.1 t -131.84 -42.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.4 p -116.54 -12.04 11.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.4 t 58.71 63.78 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -125.65 168.96 13.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.79 -36.05 0.37 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -22.19 61.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -87.32 -0.3 56.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -50.34 -27.52 6.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -51.37 -28.92 13.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -124.2 32.44 5.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mt -85.53 143.66 28.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 mp -104.26 150.06 24.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -114.03 131.78 56.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.2 t -87.15 138.34 31.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -91.09 46.25 1.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.28 -39.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.3 p -126.04 -1.8 7.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t0 51.49 56.31 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -101.6 -179.78 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.829 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -125.89 122.33 35.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -138.44 136.28 36.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -81.49 172.79 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.7 pt -91.9 -0.49 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -127.42 13.79 7.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.5 m -111.13 -24.28 10.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 mt -70.87 -169.42 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -169.88 105.53 0.45 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.622 0.725 . . . . 0.0 110.938 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 148.33 86.53 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.303 -0.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 178.7 4.32 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.369 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.0 mt -119.25 157.98 49.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.608 0.718 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -44.84 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -169.38 176.63 5.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.5 mm -51.52 131.42 35.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 172.32 12.87 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.0 mtt85 -96.26 -73.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.14 -144.03 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.9 mt -83.06 131.07 34.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.127 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -117.49 140.16 49.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.4 160.31 21.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.518 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.7 p -96.26 158.84 33.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.518 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.6 Cg_endo -69.79 -23.85 30.2 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -19.51 62.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 23.1 m -102.55 -41.99 6.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mt -66.41 -45.47 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.6 mt -65.64 -16.93 64.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.27 -45.73 9.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.086 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -73.59 -32.39 64.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.3 t -52.56 139.12 26.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 mttp 53.95 71.0 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.0 154.75 40.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.46 18.84 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.256 . . . . 0.0 112.308 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 79.25 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -174.88 38.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.17 103.94 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.15 169.95 10.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -153.88 78.64 0.2 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.477 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -134.61 59.45 1.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.848 0.356 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -141.1 177.35 8.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.12 107.72 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.42 88.82 7.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.6 m -75.01 100.28 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -138.28 172.16 13.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -156.93 121.25 4.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -131.66 36.88 3.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.7 m -113.58 103.9 11.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.824 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.0 tp -151.66 53.79 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.4 t -122.4 175.52 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.14 72.53 0.48 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 132.39 23.21 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.332 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.49 -179.47 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.44 162.61 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.509 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t 54.02 79.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 110.836 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -139.28 -61.2 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.35 109.03 0.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.56 138.73 31.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.905 0.383 . . . . 0.0 110.811 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -121.43 75.97 1.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.59 83.5 0.12 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -106.02 102.71 12.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.348 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 t -163.42 120.89 1.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.64 135.4 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -134.04 157.89 44.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -154.9 124.82 6.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -79.05 100.84 7.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.7 mt -70.24 104.35 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -146.76 47.44 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.08 170.83 18.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -121.36 113.01 19.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.3 mm -116.87 131.75 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.1 t -54.33 152.64 6.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -107.3 24.48 12.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.8 t -133.64 -41.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.0 p -116.09 -16.84 11.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m 63.95 63.24 0.83 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.7 mmt-85 -123.31 179.99 4.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.01 -40.26 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.539 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.31 -22.14 60.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -84.92 0.01 52.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -49.91 -27.42 5.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -51.36 -28.6 12.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -123.64 32.44 5.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mt -88.13 133.79 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mp -93.97 156.59 16.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -119.5 129.31 54.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.2 t -84.24 139.2 32.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -91.44 45.62 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.19 -39.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 p -125.46 -2.34 7.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.5 t0 51.59 55.84 8.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -100.7 -179.91 4.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -125.13 122.22 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -138.02 134.8 35.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -79.85 -179.61 7.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.828 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.7 pt -97.28 -11.68 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -116.06 17.02 15.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 33.2 m -114.19 -25.32 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.0 mt -68.2 -169.5 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -169.66 105.47 0.46 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.59 0.71 . . . . 0.0 110.942 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.23 86.31 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.313 -0.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 160.61 49.08 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.377 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.8 mt -102.4 159.61 28.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.699 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -41.11 4.62 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -174.8 -179.09 1.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.8 mm -50.79 131.27 28.68 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.64 0.733 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 176.56 6.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -98.05 -74.89 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.83 -148.64 0.5 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 83.6 mt -74.9 129.86 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -117.24 139.41 50.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -117.15 160.34 21.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.515 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.0 p -95.53 158.74 34.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.729 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.515 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.2 Cg_endo -69.76 -24.18 29.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.686 2.258 . . . . 0.0 112.345 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -70.64 -18.78 62.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.9 m -103.1 -41.97 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.1 mt -66.75 -45.3 88.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.93 -17.1 64.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.66 -47.65 7.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -28.26 62.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -54.36 163.94 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -99.01 76.49 2.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -148.54 156.46 42.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.586 0.708 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 159.89 51.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.722 2.282 . . . . 0.0 112.299 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 78.72 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.644 2.229 . . . . 0.0 112.365 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -179.01 34.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.46 60.57 3.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -137.39 152.01 49.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -107.28 -170.53 22.17 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 62.93 171.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 59.91 96.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -58.17 -44.85 88.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -102.48 174.78 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.72 -49.28 2.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 54.28 59.65 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.91 165.49 14.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -155.27 -43.22 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 m 53.01 73.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.5 tp -121.02 149.37 42.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.21 112.23 24.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.75 -165.08 32.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 159.72 52.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.381 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 p -170.15 160.58 8.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.4 t -108.68 -53.78 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.485 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.08 138.49 54.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.859 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 p -117.7 154.69 31.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.35 146.79 13.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.92 147.34 52.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.79 127.5 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.35 -122.68 1.27 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.505 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -104.91 82.04 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -97.2 153.15 18.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.2 t 58.8 81.12 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.08 111.16 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -145.73 -173.45 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -146.34 126.28 13.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.6 mp -104.27 150.47 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.55 73.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.3 157.13 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -124.38 111.21 15.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.5 mm -115.67 132.51 64.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.0 t -55.86 152.95 9.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -106.69 23.7 13.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.6 t -133.68 -42.29 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.6 p -115.32 -17.23 11.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.4 m 63.79 63.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -122.85 179.81 4.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.35 -39.67 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -22.14 61.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.756 0.312 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -85.32 0.02 53.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -49.96 -27.68 5.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -28.8 12.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -123.7 32.99 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 mt -88.59 135.23 33.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mp -96.32 157.24 15.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -119.57 128.82 54.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.0 t -83.94 138.51 33.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -91.16 46.05 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.56 -39.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.14 -2.79 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t70 51.63 57.29 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -103.27 -179.81 4.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.816 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -124.86 122.24 36.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -137.11 135.94 37.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -80.98 177.25 9.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.2 pt -95.67 -2.7 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -126.1 17.62 7.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.3 m -114.54 -24.99 8.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mt -70.12 -169.45 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -169.98 105.57 0.44 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 0.0 110.904 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 148.31 86.65 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.318 -0.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 176.49 6.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.9 mt -118.42 159.34 44.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -42.19 3.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.311 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -174.33 -178.73 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.7 mm -51.01 131.17 30.33 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.625 0.726 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 177.32 5.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -98.35 -74.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.84 -146.54 0.38 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.6 mt -76.96 130.94 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -117.83 140.19 50.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.28 160.4 21.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.517 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.3 p -95.83 158.74 33.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.864 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.517 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.7 Cg_endo -69.78 -24.11 29.98 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.377 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.62 -18.89 62.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.0 m -103.05 -41.99 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.2 mt -66.72 -45.4 88.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.08 -17.44 64.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.92 -44.08 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -27.87 61.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.7 t -57.15 102.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.2 mttt 59.59 176.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.79 154.7 1.23 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.632 0.73 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 163.21 39.1 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 78.79 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.44 35.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.35 103.96 6.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -106.46 107.72 18.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -178.77 94.33 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.513 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -103.07 97.18 7.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.92 90.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 58.77 -175.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -141.95 -171.42 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.45 165.3 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.168 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -130.6 153.1 49.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.84 -26.01 61.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 57.01 62.7 2.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.9 p -85.46 126.43 33.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.6 mt -98.53 162.28 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.0 t -146.58 99.14 3.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -154.71 73.12 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 166.13 28.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.9 m -58.3 -46.82 85.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 m -117.55 165.32 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.512 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -88.47 131.38 34.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.373 . . . . 0.0 110.858 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -160.64 172.0 17.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.17 148.99 6.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.448 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 p -149.27 154.54 39.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.37 . . . . 0.0 110.834 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.79 164.08 9.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.07 153.67 24.3 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -144.07 142.88 30.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.819 0.342 . . . . 0.0 110.815 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.66 168.17 10.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.6 t 62.63 179.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -175.13 177.36 1.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -117.66 162.46 18.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -153.9 145.01 22.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.8 mm -87.23 136.09 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -164.36 46.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.4 m -137.72 174.79 10.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -121.71 112.26 18.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.7 mm -115.34 130.67 69.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.158 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.8 t -53.86 154.05 4.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -107.76 22.42 15.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.2 t -132.06 -42.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -115.6 -17.21 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 m 63.84 63.58 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -123.3 179.91 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.5 -39.82 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.448 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.45 -22.06 60.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.726 0.298 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -85.51 -0.06 53.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -49.76 -27.7 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.39 -28.62 13.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -123.64 32.57 5.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 mt -88.1 133.75 33.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mp -93.79 156.32 16.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -119.11 129.62 55.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.3 t -84.54 138.82 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -91.27 45.78 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.3 -38.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.507 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 p -126.22 -1.39 7.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.78 56.49 7.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.81 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -101.2 -179.9 4.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -125.08 122.28 36.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -138.11 134.95 35.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.2 m170 -80.45 177.97 8.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.876 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.6 pt -93.97 -13.82 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -114.41 16.89 17.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.2 m -113.56 -25.38 8.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.3 mt -68.4 -169.47 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -169.5 105.43 0.47 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.619 0.723 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 148.26 86.29 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.315 -0.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 160.26 50.34 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.325 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.4 mt -101.99 159.54 29.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.634 0.731 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -40.19 5.62 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -175.09 -179.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.7 mm -51.06 131.27 30.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 175.99 7.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.379 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -97.6 -74.87 0.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.51 -148.23 0.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.1 mt -75.47 130.11 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -117.36 139.37 50.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -117.13 160.31 21.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.516 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.3 p -95.44 158.76 34.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.655 0.741 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.516 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.3 Cg_endo -69.75 -24.16 30.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.61 -18.86 62.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.7 m -103.05 -42.04 5.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.811 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.3 mt -66.7 -45.41 88.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.69 -17.16 64.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.25 -47.7 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -27.93 62.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.2 t -65.76 130.16 42.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm 52.33 85.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -53.16 154.1 5.9 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.538 0.685 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 164.28 35.12 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.643 2.229 . . . . 0.0 112.388 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 80.07 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.31 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.87 35.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -149.2 125.98 11.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.06 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 55.91 65.99 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.4 -127.39 6.02 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -111.54 158.6 18.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.348 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -93.56 44.18 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.51 145.35 48.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -158.55 107.22 1.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.82 106.05 8.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.36 99.12 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -111.19 67.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -140.41 -55.87 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.9 p 56.06 -170.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -164.23 140.76 6.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.55 140.35 35.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -109.36 159.08 14.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.456 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -22.75 31.91 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.26 . . . . 0.0 112.324 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.18 137.23 1.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.7 m -94.0 -73.17 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.499 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -150.85 126.01 9.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.869 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 t -121.24 154.63 36.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.51 -170.45 34.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.504 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -109.34 100.25 9.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 110.846 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -79.86 -65.22 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.6 131.15 2.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -90.9 175.84 6.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.5 -171.95 1.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.8 p -152.96 176.6 11.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.86 138.15 45.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.086 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -155.19 167.46 30.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -136.05 120.29 17.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.8 mt -83.57 116.64 27.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -145.39 35.73 1.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.0 m -89.42 169.62 11.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -117.29 111.98 20.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.2 mm -114.26 132.79 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.4 t -56.03 153.86 8.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -107.18 22.75 15.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.4 t -132.62 -42.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -114.95 -16.81 11.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m 63.78 63.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.0 mmt-85 -125.07 174.62 7.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.72 -37.87 0.18 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -22.32 61.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.791 0.329 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -85.26 -0.44 54.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -50.43 -27.89 7.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.3 -29.06 13.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -124.25 32.84 5.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mt -86.27 144.05 27.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.955 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.0 mp -104.52 150.33 24.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -115.25 130.26 56.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.5 t -85.2 140.24 31.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -91.32 45.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.83 -43.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.47 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.9 p -117.98 -13.99 10.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 t70 63.63 48.5 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -95.69 -179.12 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -125.53 122.28 36.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -137.23 135.72 37.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -81.37 171.93 14.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.1 pt -90.96 -0.15 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -127.99 15.76 6.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.2 m -112.67 -24.61 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.07 -169.5 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -169.6 105.5 0.46 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.618 0.723 . . . . 0.0 110.952 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 148.32 86.52 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.337 -0.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -179.75 3.14 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.6 mt -120.62 157.66 53.66 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.613 0.72 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -44.48 2.06 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -169.45 176.77 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.4 mm -51.53 131.43 35.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 0.0 111.164 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 171.61 14.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.25 -72.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.17 -143.88 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.0 mt -83.62 130.81 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -117.6 140.83 49.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.63 160.31 22.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.52 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -96.4 158.87 33.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.52 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.2 Cg_endo -69.73 -23.86 30.48 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -70.73 -19.24 62.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 23.3 m -102.91 -41.59 6.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.8 mt -66.92 -45.21 87.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.95 -16.96 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.77 -37.8 11.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -76.67 -32.99 58.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.4 t -53.32 145.18 14.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mttt 60.16 176.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -139.64 158.6 67.82 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.615 0.721 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 165.35 31.23 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 75.19 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.67 2.247 . . . . 0.0 112.347 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.92 85.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -178.29 101.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -99.85 116.87 32.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -149.26 -64.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 54.05 88.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -130.54 40.12 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -101.48 -51.58 3.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.21 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.56 172.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 58.68 38.03 25.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -119.19 106.46 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -143.23 97.21 3.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m 60.83 39.27 17.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 58.13 66.7 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.3 t -137.43 111.77 8.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.51 -161.76 27.96 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 90.37 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.737 2.291 . . . . 0.0 112.305 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -33.05 71.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.807 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.52 122.09 34.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.508 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -95.3 82.04 3.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.87 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 t -101.25 92.38 4.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.77 -176.01 30.89 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.465 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.4 151.4 35.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.893 0.378 . . . . 0.0 110.83 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 m -158.42 107.06 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.67 69.69 0.3 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -105.46 132.44 51.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.33 143.94 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.45 -30.23 20.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.822 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 53.08 62.62 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -118.52 -176.68 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.27 42.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.2 mm -87.62 128.36 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -160.01 63.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 p -88.49 179.02 6.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -122.0 111.26 16.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.9 mm -116.31 132.52 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.2 t -51.94 151.1 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -103.67 23.07 13.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.5 t -134.22 -41.47 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.4 p -116.8 -12.95 10.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.1 t 58.65 64.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.7 mmt-85 -125.64 168.81 13.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.36 -37.24 0.34 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -59.56 -21.97 61.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.763 0.316 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -86.84 -0.1 55.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -50.15 -27.21 5.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -51.49 -28.45 13.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -123.82 31.86 5.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.63 138.36 31.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mp -98.91 156.67 16.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -119.78 128.86 54.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.1 t -82.98 139.02 33.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -91.19 45.87 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.76 -39.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -125.43 -2.51 7.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 45.5 t0 51.69 56.68 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -101.41 -179.76 4.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.43 122.22 37.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -138.99 134.23 32.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -78.93 -175.23 4.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.5 pt -103.84 -7.11 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -119.05 13.05 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.7 m -110.68 -23.88 10.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.7 mt -69.95 -169.38 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.32 105.6 0.43 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.911 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.29 86.38 Favored 'Cis proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.357 -0.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 170.2 17.1 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.701 2.268 . . . . 0.0 112.358 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.6 mt -111.87 159.4 33.63 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.597 0.713 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -43.6 2.59 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.701 2.267 . . . . 0.0 112.312 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -171.92 -178.81 2.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.4 mm -51.51 131.36 35.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.637 0.732 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 172.61 12.31 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -95.48 -74.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.08 -146.84 0.14 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.2 mt -78.89 130.63 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -117.28 139.69 50.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.8 160.27 21.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.514 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -95.08 158.69 34.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.514 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.7 Cg_endo -69.73 -24.56 29.7 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -18.58 63.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 19.1 m -103.09 -41.93 5.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.2 mt -66.38 -45.1 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.95 -17.48 57.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.07 -44.42 7.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -75.54 -12.42 60.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.8 p -50.73 164.04 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -73.91 150.86 40.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -85.01 154.14 60.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.8 20.5 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.339 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 80.05 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -176.11 36.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -153.98 135.63 14.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -118.49 -65.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.59 164.0 21.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -74.32 117.94 16.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.38 35.76 2.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -71.25 -72.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 52.95 73.05 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.2 m -99.62 154.05 18.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -56.06 141.83 38.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -73.64 167.84 20.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -162.59 29.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.951 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -57.43 128.41 36.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 59.76 91.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.28 124.54 35.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 136.38 177.78 15.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 135.77 31.29 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.726 2.284 . . . . 0.0 112.313 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -94.48 170.66 9.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.8 t -139.12 -51.37 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.123 -0.82 . . . . 0.0 112.454 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 p -140.15 99.83 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.58 167.78 14.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.822 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.76 97.83 0.49 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.19 157.26 11.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.876 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -177.83 143.55 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.73 40.12 0.22 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.479 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -102.41 168.71 9.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 p -143.37 88.66 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.3 p -112.02 71.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -124.45 99.61 6.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -79.24 172.49 13.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -160.01 131.6 6.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.1 mm -69.26 130.36 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -95.7 42.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.18 179.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -117.1 111.23 19.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.9 mm -112.61 135.5 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.1 t -51.88 151.54 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -102.94 21.63 15.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.2 t -133.75 -41.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.15 -17.68 10.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.4 t 63.6 63.92 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -126.31 166.06 17.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -127.21 -36.24 0.51 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -22.16 61.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -88.12 -0.03 56.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -50.36 -27.03 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.5 -28.34 13.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -124.06 31.66 5.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mt -85.8 142.32 29.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mp -103.14 155.92 18.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -119.63 128.2 53.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.4 t -82.3 139.11 34.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -91.21 45.74 1.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.82 -38.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 p -125.31 -2.56 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 t0 51.62 57.01 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -101.78 -179.72 4.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -124.54 122.27 37.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -139.11 135.31 33.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -80.35 -177.16 6.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.9 pt -101.7 -4.29 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -122.64 14.09 10.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.3 m -110.35 -23.3 11.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.2 mt -72.49 -169.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.2 105.49 0.44 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.612 0.72 . . . . 0.0 110.923 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 148.27 86.49 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.32 -0.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 179.4 3.72 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.4 mt -119.88 159.14 47.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.595 0.712 . . . . 0.0 110.959 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -43.77 2.46 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.708 2.272 . . . . 0.0 112.36 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -172.01 -179.49 2.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.3 mm -51.46 131.47 34.64 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.666 0.746 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 171.65 14.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.264 . . . . 0.0 112.322 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.81 -74.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.71 -146.58 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.8 mt -79.33 130.97 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -117.63 139.93 50.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.21 160.27 21.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.514 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.29 158.71 34.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.514 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.5 Cg_endo -69.76 -24.35 29.78 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.326 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -18.81 62.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.1 m -103.03 -42.01 5.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mt -66.51 -45.27 89.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.9 mt -64.45 -16.82 63.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.3 -45.48 8.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -24.53 60.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -57.67 -179.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.35 74.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -111.21 154.52 43.56 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 170.49 16.4 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.697 2.265 . . . . 0.0 112.377 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 71.86 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 179.22 84.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -178.25 49.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -133.82 161.36 34.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.0 76.98 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -126.14 165.03 19.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -174.06 70.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -110.22 37.37 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 54.91 91.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.079 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.7 t -105.94 127.25 53.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -143.4 149.17 37.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.63 126.42 37.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.74 -54.63 8.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.81 113.1 1.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.58 -49.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 m -63.87 -31.5 72.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.5 171.69 18.64 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -40.16 5.55 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.3 t 61.71 60.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.6 t 54.47 32.58 17.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.488 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -129.19 113.33 14.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.6 mm -116.07 129.25 72.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.9 t -52.1 154.3 2.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -108.1 22.21 16.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.3 t -131.22 -42.89 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.25 -16.92 11.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m 63.84 63.44 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -123.77 -179.91 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.42 -40.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.434 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -22.51 61.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.781 0.324 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -83.74 -0.21 49.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.442 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.8 p-10 -49.95 -27.9 6.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.53 -28.61 14.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -123.86 32.03 5.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.46 139.56 30.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.543 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.7 mp -100.72 155.83 17.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -118.62 129.27 55.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 t -83.42 138.95 33.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -91.29 45.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.49 -39.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.454 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -125.43 -2.46 7.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 51.59 57.06 6.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -102.48 -179.72 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.509 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.3 m120 -123.53 122.27 37.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -139.33 132.78 30.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -78.09 179.71 6.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.632 HD13 ' HA ' ' A' ' 52' ' ' GLU . 42.2 pt -94.37 -16.97 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -110.23 13.96 22.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.8 m -111.08 -24.24 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.55 -169.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.42 105.65 0.43 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.719 . . . . 0.0 110.901 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.7 Cg_endo -69.77 148.37 86.6 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.341 -0.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 169.38 19.01 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.694 2.263 . . . . 0.0 112.355 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.3 mt -113.57 159.55 35.08 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.589 0.709 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -39.73 6.26 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.658 2.239 . . . . 0.0 112.375 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.632 ' HA ' HD13 ' A' ' 43' ' ' ILE . 8.3 pt-20 -173.22 -179.14 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.403 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.5 mm -51.47 131.45 34.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.599 0.714 . . . . 0.0 111.121 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.543 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.71 172.08 13.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -95.61 -74.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.02 -144.85 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.0 mt -81.77 130.96 34.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.428 ' CG ' HD23 ' A' ' 32' ' ' LEU . 74.8 t90 -117.48 139.84 50.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.05 160.26 21.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.525 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.35 158.71 34.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.663 0.744 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.7 Cg_endo -69.75 -24.31 29.87 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -18.86 62.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.5 m -103.09 -41.99 5.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.3 mt -66.52 -45.11 89.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.32 -16.75 63.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.22 -47.73 7.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -29.88 65.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.892 0.377 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -127.26 112.96 15.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.1 mm -116.43 129.14 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.8 t -52.2 154.45 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -108.15 22.13 16.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.3 t -131.39 -42.61 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.38 -17.0 11.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m 63.82 63.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.1 mmt-85 -123.63 179.95 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.34 -40.39 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -59.16 -22.57 61.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.766 0.317 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -83.68 -0.18 49.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.458 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.8 p-10 -49.94 -27.92 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -51.56 -28.56 14.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -123.81 32.18 5.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.7 mt -86.91 141.22 28.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.545 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -102.49 155.66 18.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -118.99 128.09 54.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.6 t -82.46 139.16 34.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -91.27 45.66 1.26 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.64 -38.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 p -124.97 -3.1 7.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.5 t70 51.77 57.16 6.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -103.03 -179.77 4.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.505 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -123.52 122.24 37.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.526 ' HB3' HD21 ' A' ' 46' ' ' LEU . 83.1 m-85 -138.92 133.82 32.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -79.2 179.46 7.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.665 HD13 ' HA ' ' A' ' 52' ' ' GLU . 32.9 pt -95.16 -14.18 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -113.24 14.53 19.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.9 m -111.32 -23.98 10.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 41' ' ' TYR . 12.6 mt -70.49 -169.44 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.439 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.47 105.61 0.42 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.61 0.719 . . . . 0.0 110.953 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.8 Cg_endo -69.79 148.28 86.45 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.319 -0.103 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 172.2 13.02 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.7 mt -115.34 159.78 36.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.717 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -41.17 4.58 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.709 2.273 . . . . 0.0 112.362 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.665 ' HA ' HD13 ' A' ' 43' ' ' ILE . 11.2 pt-20 -173.01 -179.13 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.404 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.4 mm -51.53 131.44 35.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.636 0.732 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.545 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.4 Cg_endo -69.83 171.89 13.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -95.04 -74.95 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.48 -145.56 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 88.6 mt -80.39 131.38 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.423 ' CG ' HD23 ' A' ' 32' ' ' LEU . 75.4 t90 -118.05 140.21 50.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.61 160.28 22.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.525 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -95.56 158.76 33.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.649 0.738 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.4 Cg_endo -69.81 -24.16 29.74 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.319 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -70.58 -18.93 62.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.9 m -102.97 -41.92 5.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.7 mt -66.68 -45.35 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.6 mt -65.47 -16.99 64.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.71 -48.19 6.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -27.83 65.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.8 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.908 0.385 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -131.15 112.9 13.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.6 mm -116.35 129.02 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 t -51.98 154.2 2.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -108.01 22.21 16.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -131.38 -42.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.3 -17.02 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 m 63.88 63.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.8 mmt85 -123.72 -179.95 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.46 -40.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.24 -22.54 61.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -83.61 -0.12 49.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.446 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.7 p-10 -49.97 -27.95 6.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -28.66 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -123.81 32.25 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.66 140.3 29.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.544 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.7 mp -101.48 155.73 17.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -118.76 128.84 54.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 t -82.78 139.18 33.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -91.33 45.69 1.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.7 -39.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.478 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.23 -2.78 7.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.7 t0 51.71 56.99 7.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -102.29 -179.77 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.506 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -123.33 122.31 38.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.489 ' HB3' HD21 ' A' ' 46' ' ' LEU . 82.0 m-85 -139.47 132.77 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -78.12 -179.44 6.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.633 HD13 ' HA ' ' A' ' 52' ' ' GLU . 42.0 pt -95.54 -16.71 7.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -110.47 14.33 22.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.7 m -111.36 -23.74 10.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 41' ' ' TYR . 10.9 mt -70.3 -169.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.41 105.62 0.43 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.632 0.73 . . . . 0.0 110.869 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.447 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.8 Cg_endo -69.74 148.3 86.4 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.667 -1.806 . . . . 0.0 112.358 -0.171 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.35 19.13 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.2 mt -113.12 159.48 34.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.637 0.732 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -39.95 5.84 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.65 2.234 . . . . 0.0 112.361 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.633 ' HA ' HD13 ' A' ' 43' ' ' ILE . 4.9 pt-20 -173.26 -179.15 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.406 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.4 mm -51.49 131.48 35.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.728 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.544 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.4 Cg_endo -69.76 171.87 13.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.66 -74.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.17 -144.12 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.9 mt -82.72 131.12 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 111.101 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.429 ' CG ' HD23 ' A' ' 32' ' ' LEU . 75.1 t90 -117.54 140.09 50.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.46 160.3 21.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.522 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.36 158.67 34.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.522 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.9 Cg_endo -69.74 -24.38 29.84 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -70.5 -18.73 62.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 19.6 m -103.06 -42.16 5.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.3 mt -66.5 -45.38 89.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.18 -16.83 63.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.32 -37.0 11.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -78.9 -26.78 43.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.866 0.365 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -129.08 113.63 15.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.7 mm -116.28 131.58 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.6 t -54.74 153.73 5.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -107.43 22.86 15.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -132.45 -42.37 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.59 -16.76 11.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m 63.77 63.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -124.82 175.74 7.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -136.9 -38.23 0.16 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -22.36 61.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.742 0.306 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -85.08 -0.32 54.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.47 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.1 p-10 -50.51 -27.94 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.28 -29.04 13.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -124.23 32.82 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.502 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.4 mt -86.17 143.34 28.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.611 HD21 ' HD3' ' A' ' 54' ' ' PRO . 7.8 mp -103.92 149.91 24.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -113.82 131.63 56.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.6 t -87.54 138.42 31.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -91.1 46.14 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.01 -39.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.521 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.9 p -125.76 -2.23 7.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 110.823 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 47.5 t0 51.69 56.14 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -102.25 -179.77 4.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.502 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.3 m120 -125.42 122.29 36.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -137.63 135.8 36.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -81.53 170.81 15.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.748 HD13 ' HA ' ' A' ' 52' ' ' GLU . 9.9 pt -89.96 -0.5 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -127.76 16.11 6.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.5 m -113.13 -24.51 9.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 mt -71.05 -169.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.61 105.51 0.46 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.613 0.721 . . . . 0.0 110.923 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 54.0 Cg_endo -69.73 148.28 86.32 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.337 -0.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 178.45 4.54 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.488 HD11 ' HE1' ' A' ' 58' ' ' TRP . 42.0 mt -118.58 157.78 48.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.616 0.722 . . . . 0.0 110.945 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -44.36 2.11 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.383 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.748 ' HA ' HD13 ' A' ' 43' ' ' ILE . 6.4 pt-20 -169.85 176.66 4.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.564 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.7 mm -51.51 131.4 35.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.679 0.752 . . . . 0.0 111.148 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.611 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.72 173.5 10.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -96.97 -74.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.05 -144.53 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.4 mt -81.99 130.87 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.488 ' HE1' HD11 ' A' ' 50' ' ' LEU . 75.1 t90 -117.37 140.13 49.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.41 160.27 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.528 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.6 p -96.41 158.84 33.18 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.685 0.755 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.528 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.6 Cg_endo -69.78 -23.47 30.68 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -19.76 62.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 28.6 m -102.65 -41.34 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.0 mt -66.84 -45.26 88.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.8 mt -66.09 -17.01 64.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.51 -49.35 6.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -70.08 -31.03 68.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.929 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.85 0.357 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -117.16 112.94 21.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.2 mm -116.18 129.04 73.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.4 t -52.01 154.54 2.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -108.24 21.93 16.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.1 t -131.18 -42.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -115.24 -17.05 11.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 m 63.86 63.4 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -123.59 179.98 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.39 -40.2 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -22.61 61.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.324 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -83.7 -0.26 50.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.466 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.9 p-10 -50.05 -28.09 6.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -51.54 -28.72 14.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -123.85 32.47 5.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.9 140.86 29.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.562 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.4 mp -101.81 152.86 20.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -116.51 129.64 56.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 t -84.13 139.05 32.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -91.18 45.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.63 -39.12 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -125.47 -2.45 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.0 t0 51.65 56.47 7.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.809 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -101.43 -179.83 4.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.505 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.2 m120 -124.49 122.27 37.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.582 ' HB3' HD21 ' A' ' 46' ' ' LEU . 85.8 m-85 -139.0 133.69 32.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -79.4 176.43 9.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.659 HD13 ' HA ' ' A' ' 52' ' ' GLU . 33.9 pt -92.73 -10.67 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -117.94 17.88 14.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.9 m -114.25 -23.8 9.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.582 HD21 ' HB3' ' A' ' 41' ' ' TYR . 11.8 mt -71.85 -169.33 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.442 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.01 105.44 0.44 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.62 0.724 . . . . 0.0 110.936 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.6 Cg_endo -69.76 148.25 86.34 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.361 -0.105 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 176.31 6.94 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.694 2.263 . . . . 0.0 112.377 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.84 158.42 45.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -41.95 3.9 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.329 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.659 ' HA ' HD13 ' A' ' 43' ' ' ILE . 3.6 pt-20 -171.95 178.57 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.454 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.8 mm -51.41 131.42 34.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.562 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.0 Cg_endo -69.73 171.45 14.41 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.37 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -95.67 -73.64 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.15 -144.27 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.448 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 91.2 mt -82.71 131.05 34.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.43 ' CG ' HD23 ' A' ' 32' ' ' LEU . 74.6 t90 -117.69 140.42 49.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.81 160.13 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.53 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.6 p -95.35 158.77 34.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.53 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.0 Cg_endo -69.73 -24.61 29.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -70.44 -18.79 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.3 m -102.82 -42.39 5.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.3 mt -66.4 -45.24 89.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.8 mt -66.16 -17.29 64.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.06 -48.54 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.056 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -29.33 67.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 40.7 t . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.938 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -125.23 111.44 15.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.3 mm -114.11 132.77 62.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.4 t -56.0 153.78 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -107.18 22.67 15.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.3 t -132.46 -42.77 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -115.1 -16.82 11.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m 63.77 63.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -125.05 174.89 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.96 -37.99 0.18 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.36 -22.29 61.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -85.25 -0.44 54.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.474 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.1 p-10 -50.37 -28.05 7.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.26 -28.94 13.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mttp -124.26 32.82 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.3 mt -86.36 143.83 27.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.598 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.0 mp -104.29 150.22 24.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -115.15 130.11 56.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.3 t -85.0 140.16 31.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -91.32 46.08 1.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.03 -43.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.1 p -118.02 -14.08 9.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.795 0.331 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.9 t0 63.62 48.85 3.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -96.12 -179.35 4.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.505 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.3 m120 -125.28 122.25 36.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -137.23 135.77 37.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -81.31 171.99 14.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.75 HD13 ' HA ' ' A' ' 52' ' ' GLU . 10.0 pt -91.12 -0.17 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -127.94 15.6 6.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.4 m -112.46 -24.66 9.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.03 -169.33 0.35 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.453 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.8 105.47 0.45 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.617 0.723 . . . . 0.0 110.902 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.8 Cg_endo -69.76 148.24 86.32 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.323 -0.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -179.5 2.95 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.473 HD11 ' HE1' ' A' ' 58' ' ' TRP . 46.5 mt -120.88 157.7 54.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -44.54 2.02 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.75 ' HA ' HD13 ' A' ' 43' ' ' ILE . 17.9 pt-20 -169.49 176.74 4.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.557 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.4 mm -51.53 131.44 35.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 111.125 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.598 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.82 171.15 15.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.258 . . . . 0.0 112.345 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -95.88 -72.36 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.27 -143.26 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 88.6 mt -84.35 131.46 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.159 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.473 ' HE1' HD11 ' A' ' 50' ' ' LEU . 76.3 t90 -118.21 141.0 48.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.89 160.32 22.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.529 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -96.49 158.93 32.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.529 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.0 Cg_endo -69.77 -23.79 30.36 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.73 2.287 . . . . 0.0 112.328 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -70.7 -19.29 62.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 26.5 m -102.86 -41.55 6.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.2 mt -66.92 -45.31 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.98 -17.36 64.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.12 -44.02 9.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.45 -28.2 61.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -117.85 112.88 20.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.2 mm -116.4 128.96 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 t -51.92 154.29 2.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -108.07 22.17 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.5 t -131.5 -42.52 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.35 -17.13 11.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 m 63.94 63.4 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -123.71 -179.97 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.44 -40.48 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -22.51 60.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -83.59 -0.25 49.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.443 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.8 p-10 -49.96 -27.88 6.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.52 -28.6 14.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -123.88 32.15 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.57 140.67 29.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.543 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -101.84 155.75 17.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -118.76 128.85 54.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.8 t -83.0 139.03 33.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -91.31 45.81 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.72 -38.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.35 -2.57 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 t0 51.48 57.22 6.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -102.65 -179.87 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.505 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -123.32 122.26 37.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.515 ' HB3' HD21 ' A' ' 46' ' ' LEU . 82.7 m-85 -139.27 132.84 30.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -78.18 -179.28 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.637 HD13 ' HA ' ' A' ' 52' ' ' GLU . 41.1 pt -95.7 -16.57 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -110.68 14.37 22.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.4 m -111.39 -23.91 10.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.515 HD21 ' HB3' ' A' ' 41' ' ' TYR . 12.0 mt -70.17 -169.35 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.442 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.47 105.56 0.42 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.637 0.732 . . . . 0.0 110.953 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 54.0 Cg_endo -69.73 148.3 86.36 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.38 -0.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 169.35 19.2 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.8 mt -112.92 159.52 34.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -40.12 5.67 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.315 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.637 ' HA ' HD13 ' A' ' 43' ' ' ILE . 3.2 pt-20 -173.27 -179.17 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.402 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.4 mm -51.47 131.46 34.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.543 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.78 172.08 13.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.303 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.63 -74.7 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.05 -145.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.438 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.9 mt -81.48 130.9 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.428 ' CG ' HD23 ' A' ' 32' ' ' LEU . 74.1 t90 -117.39 140.01 50.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.26 160.22 22.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.524 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.35 158.69 34.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.592 0.711 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.524 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.0 Cg_endo -69.76 -24.1 30.06 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -70.66 -18.9 62.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.5 m -103.11 -41.76 5.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.5 mt -66.88 -45.09 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.169 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.3 mt -65.89 -16.95 64.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.27 -40.27 10.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -77.18 -26.16 52.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.0 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.896 0.379 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -132.35 112.98 12.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.4 mm -116.05 128.83 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 t -51.96 154.31 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -108.07 22.2 16.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.9 t -131.33 -42.76 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.26 -17.04 11.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m 63.94 63.36 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -123.18 179.94 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.36 -41.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.447 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.09 -22.57 61.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -83.23 -0.09 47.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.447 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.6 p-10 -50.09 -27.65 5.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -28.85 12.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.7 mttp -123.85 32.69 5.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.515 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.7 mt -87.33 138.49 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.547 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.7 mp -99.48 155.9 17.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -118.93 128.85 54.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.8 t -82.7 139.31 33.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -91.43 45.58 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.58 -38.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.26 -2.66 7.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.363 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.7 t0 51.64 56.98 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -102.3 -179.75 4.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.515 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -123.35 122.24 37.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.433 ' HB3' HD21 ' A' ' 46' ' ' LEU . 82.0 m-85 -139.39 132.66 29.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -78.13 179.98 6.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.621 HD13 ' HA ' ' A' ' 52' ' ' GLU . 43.9 pt -94.62 -17.25 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -110.21 14.56 22.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.7 m -111.6 -23.89 10.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.433 HD21 ' HB3' ' A' ' 41' ' ' TYR . 9.6 mt -70.21 -169.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.446 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.41 105.61 0.43 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.653 0.739 . . . . 0.0 110.898 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.8 Cg_endo -69.79 148.27 86.43 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.339 -0.098 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 169.56 18.57 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.685 2.257 . . . . 0.0 112.355 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.8 mt -113.47 159.5 35.1 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.634 0.73 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -39.8 6.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.621 ' HA ' HD13 ' A' ' 43' ' ' ILE . 3.7 pt-20 -173.4 -179.1 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.406 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.5 mm -51.42 131.43 34.32 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.547 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.77 171.99 13.47 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.715 2.277 . . . . 0.0 112.316 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.6 -74.48 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.09 -144.57 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.8 mt -82.02 131.03 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.143 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.427 ' CG ' HD23 ' A' ' 32' ' ' LEU . 75.2 t90 -117.49 139.97 50.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.23 160.26 21.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.524 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.39 158.68 34.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.609 0.719 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.524 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.2 Cg_endo -69.72 -24.28 30.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.44 -18.93 63.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.8 m -103.04 -42.0 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.6 mt -66.64 -45.26 88.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.47 -16.95 64.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.73 -45.39 8.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -73.89 -26.9 60.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.923 0.392 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -121.06 113.53 20.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.0 mm -117.75 128.02 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.3 t -52.0 150.92 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -105.34 22.65 15.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.7 t -130.68 -42.77 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.0 p -115.81 -16.58 11.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m 63.82 63.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -123.78 -179.97 4.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.71 -40.53 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -22.58 61.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -83.44 -0.22 49.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.45 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.8 p-10 -49.94 -27.84 5.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.65 -28.36 14.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -123.88 31.8 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.51 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.35 140.98 29.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.543 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.7 mp -102.2 155.83 17.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -118.67 129.03 55.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.0 t -83.45 138.98 33.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -91.22 45.76 1.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.55 -39.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.1 p -125.19 -2.82 7.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.322 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 51.74 56.8 7.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -102.52 -179.7 4.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.51 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -123.46 122.27 37.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.5 ' HB3' HD21 ' A' ' 46' ' ' LEU . 83.1 m-85 -139.22 132.76 30.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.6 m170 -77.77 -178.44 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.638 HD13 ' HA ' ' A' ' 52' ' ' GLU . 40.1 pt -96.9 -16.52 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -110.36 13.64 22.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.5 m -110.86 -24.38 10.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 41' ' ' TYR . 12.2 mt -69.33 -169.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.446 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.47 105.67 0.42 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.639 0.733 . . . . 0.0 110.893 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.7 Cg_endo -69.75 148.28 86.38 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.72 -1.783 . . . . 0.0 112.354 -0.178 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.63 21.02 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.2 mt -112.39 159.42 34.05 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.66 0.743 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -40.31 5.52 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.734 2.289 . . . . 0.0 112.334 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.638 ' HA ' HD13 ' A' ' 43' ' ' ILE . 8.3 pt-20 -172.94 -179.19 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.405 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.4 mm -51.48 131.41 34.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.543 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.71 172.19 13.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -95.65 -74.83 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.1 -145.57 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.7 mt -80.85 130.7 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.123 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.421 ' CG ' HD23 ' A' ' 32' ' ' LEU . 74.2 t90 -117.33 139.91 50.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.01 160.25 21.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.522 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -95.39 158.63 34.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.671 0.748 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.522 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.7 Cg_endo -69.72 -24.16 30.18 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.337 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -18.82 62.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.9 m -103.14 -41.91 5.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.7 mt -66.84 -45.17 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.76 -17.04 64.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.66 -45.33 9.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -72.61 -31.49 65.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -119.67 112.74 19.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.6 mm -116.6 129.02 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.18 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.4 t -52.38 154.11 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -107.87 22.39 16.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.5 t -131.77 -42.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.54 -16.95 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m 63.89 63.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -124.36 177.17 6.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.88 -39.44 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -59.26 -22.37 61.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -84.35 -0.14 51.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.466 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.9 p-10 -50.12 -28.01 6.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -28.42 14.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -123.9 31.96 5.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.45 143.44 27.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.59 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.5 mp -104.95 152.66 22.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -115.96 129.74 56.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.0 t -84.79 139.17 32.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -91.39 45.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.13 -39.13 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.3 p -125.14 -2.85 7.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.0 t0 51.7 56.25 8.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -102.33 -179.58 4.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.501 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -124.23 122.31 37.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.55 ' HB3' HD21 ' A' ' 46' ' ' LEU . 78.3 m-85 -138.33 134.3 34.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -79.94 175.74 10.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.721 HD13 ' HA ' ' A' ' 52' ' ' GLU . 13.4 pt -93.22 -7.35 10.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -120.93 16.83 11.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.0 m -113.31 -23.76 9.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.55 HD21 ' HB3' ' A' ' 41' ' ' TYR . 10.2 mt -72.17 -169.46 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.06 105.55 0.44 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.718 . . . . 0.0 110.918 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.8 Cg_endo -69.75 148.25 86.31 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.355 -0.163 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -177.96 2.11 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.312 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.3 mt -124.05 159.37 56.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -43.55 2.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.721 ' HA ' HD13 ' A' ' 43' ' ' ILE . 14.9 pt-20 -171.45 179.91 2.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.474 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.1 mm -51.56 131.42 35.69 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.59 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.1 Cg_endo -69.8 173.1 11.5 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -96.13 -74.92 0.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.36 -145.17 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 91.1 mt -80.86 131.13 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.813 0.34 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.437 ' CD2' HD23 ' A' ' 32' ' ' LEU . 75.4 t90 -117.84 140.3 49.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.74 160.28 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.525 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.4 p -95.99 158.67 33.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.3 Cg_endo -69.74 -24.0 30.27 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.256 . . . . 0.0 112.363 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -19.21 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.8 m -102.72 -42.06 6.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.8 mt -66.56 -45.41 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.1 mt -66.01 -17.26 64.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.16 -47.35 8.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -70.45 -36.74 74.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 39.5 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.915 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.899 0.381 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -118.14 111.27 18.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.6 mm -114.27 131.76 65.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.1 t -55.23 153.87 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -107.34 22.61 15.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.6 t -132.2 -42.66 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -115.45 -16.62 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m 63.81 63.31 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -124.97 174.57 7.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.71 -38.08 0.18 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.432 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -59.4 -22.24 61.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.815 0.341 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -85.47 -0.34 54.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.474 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.0 p-10 -50.38 -27.8 6.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.2 -29.02 12.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -124.16 32.55 5.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.3 mt -86.0 144.05 27.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.599 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.1 mp -104.79 150.72 24.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -115.37 130.5 56.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.9 t -85.23 140.4 30.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -91.44 45.7 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.72 -43.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.0 p -117.94 -14.19 10.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.9 t0 63.55 48.77 3.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -96.48 -179.2 4.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.512 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.2 m120 -124.92 122.32 37.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.536 ' HB3' HD21 ' A' ' 46' ' ' LEU . 90.6 m-85 -137.0 135.86 37.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -81.24 171.95 14.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.733 HD13 ' HA ' ' A' ' 52' ' ' GLU . 11.5 pt -90.65 -4.27 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -123.63 14.63 9.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.2 m -111.32 -24.01 10.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 41' ' ' TYR . 10.1 mt -71.57 -169.42 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.0 105.45 0.44 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.654 0.74 . . . . 0.0 110.968 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.4 Cg_endo -69.83 148.28 86.56 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.326 -0.044 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -179.19 2.72 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.354 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.426 HD11 ' HE1' ' A' ' 58' ' ' TRP . 39.1 mt -121.97 158.39 55.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.631 0.729 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -44.05 2.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.733 ' HA ' HD13 ' A' ' 43' ' ' ILE . 2.1 pt-20 -170.26 177.93 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.545 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.4 mm -51.52 131.38 35.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.584 0.707 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.599 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.2 Cg_endo -69.75 171.77 13.86 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.665 2.244 . . . . 0.0 112.327 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -96.21 -72.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.25 -143.49 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.493 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.3 mt -84.04 131.21 34.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.454 ' CD2' HD23 ' A' ' 32' ' ' LEU . 75.8 t90 -117.98 140.96 48.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.78 160.31 22.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.529 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 11.9 p -96.58 158.9 32.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.529 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.6 Cg_endo -69.71 -23.65 30.8 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.676 2.25 . . . . 0.0 112.333 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -70.53 -19.59 62.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 33.3 m -102.89 -41.43 6.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.1 mt -66.68 -45.24 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 53.3 mt -65.43 -17.11 64.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.63 -34.0 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -81.52 -28.95 33.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.897 0.379 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -124.06 114.25 19.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.3 mm -116.97 129.2 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.9 t -52.16 154.41 2.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -108.15 22.07 16.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.2 t -131.38 -42.59 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.28 -17.09 11.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.88 63.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -123.8 179.99 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.4 -40.41 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -22.55 61.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.738 0.304 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -83.61 -0.14 49.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.44 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.8 p-10 -49.94 -27.95 6.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -51.5 -28.54 13.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -123.91 32.12 5.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.62 140.28 30.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.548 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -101.5 155.69 17.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -118.91 128.8 54.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.7 t -83.14 139.24 33.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -91.37 45.6 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.37 -38.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.0 p -125.26 -2.65 7.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t0 51.53 56.82 7.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -102.45 -179.72 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.507 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -123.43 122.38 38.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.517 ' HB3' HD21 ' A' ' 46' ' ' LEU . 83.2 m-85 -139.28 132.8 30.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -78.21 -179.35 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.819 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.635 HD13 ' HA ' ' A' ' 52' ' ' GLU . 41.4 pt -95.71 -16.24 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -111.07 14.58 21.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.2 m -111.58 -23.91 10.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.517 HD21 ' HB3' ' A' ' 41' ' ' TYR . 12.0 mt -70.15 -169.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.438 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.3 105.57 0.43 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.552 0.691 . . . . 0.0 110.936 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 54.0 Cg_endo -69.72 148.31 86.38 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.339 -0.104 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 169.53 18.81 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.656 2.237 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.0 mt -112.93 159.48 34.38 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -40.03 5.7 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.292 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.635 ' HA ' HD13 ' A' ' 43' ' ' ILE . 12.0 pt-20 -173.38 -179.24 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.406 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.5 mm -51.48 131.47 34.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.664 0.745 . . . . 0.0 111.133 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.548 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.79 172.18 13.13 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.239 . . . . 0.0 112.368 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.1 mtt85 -95.45 -74.78 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.54 -146.29 0.11 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.2 mt -79.83 130.59 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 111.132 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.424 ' CG ' HD23 ' A' ' 32' ' ' LEU . 74.4 t90 -117.31 139.75 50.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.96 160.21 21.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.525 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.3 158.73 34.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.711 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.7 Cg_endo -69.74 -24.27 29.95 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.691 2.26 . . . . 0.0 112.389 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -18.77 62.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.9 m -103.15 -41.95 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.7 mt -66.79 -45.28 88.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.68 -17.12 64.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.07 -44.97 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -73.33 -33.79 65.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.1 t . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.898 0.38 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -112.18 111.13 21.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.969 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.639 HG22 ' HA ' ' A' ' 23' ' ' SER . 24.9 mm -110.6 135.18 50.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.1 t -51.97 149.62 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -101.31 20.71 15.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.0 t -131.56 -42.12 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.6 p -116.35 -16.86 10.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.639 ' HA ' HG22 ' A' ' 18' ' ' ILE . 11.9 t 63.65 63.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -125.64 167.25 15.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -128.55 -35.56 0.49 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -22.27 61.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -88.5 -0.25 57.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.478 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.3 p-10 -50.28 -27.58 6.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.31 -28.98 13.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -124.16 32.28 5.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.1 mt -85.27 143.25 28.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.604 HD21 ' HD3' ' A' ' 54' ' ' PRO . 7.8 mp -104.0 149.78 24.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -114.08 131.75 56.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.2 t -87.36 138.54 31.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -91.31 45.9 1.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.9 -39.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 p -125.76 -2.06 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t0 51.64 55.94 8.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -101.23 -179.66 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.512 ' HB3' HD22 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -126.39 122.29 34.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -138.52 136.71 36.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 44.2 m170 -82.09 171.91 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.744 HD13 ' HA ' ' A' ' 52' ' ' GLU . 10.3 pt -90.29 -0.0 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -128.15 14.58 6.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.0 m -111.38 -24.72 10.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.8 mt -70.92 -169.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.8 105.5 0.45 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.598 0.713 . . . . 0.0 110.96 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 54.3 Cg_endo -69.74 148.35 86.49 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.314 -0.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 179.16 3.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.674 2.25 . . . . 0.0 112.334 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.47 HD11 ' HE1' ' A' ' 58' ' ' TRP . 43.0 mt -119.44 158.01 50.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -44.45 2.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.744 ' HA ' HD13 ' A' ' 43' ' ' ILE . 13.5 pt-20 -169.44 176.65 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.558 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.7 mm -51.64 131.49 36.46 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.666 0.746 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.604 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.4 Cg_endo -69.77 172.37 12.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.306 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -95.91 -74.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.98 -146.09 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.513 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.0 mt -80.12 130.63 35.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 111.121 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.47 ' HE1' HD11 ' A' ' 50' ' ' LEU . 74.1 t90 -117.29 139.76 50.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.84 160.25 21.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.527 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.0 p -96.25 158.87 33.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.616 0.722 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.527 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.0 Cg_endo -69.75 -23.75 30.47 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.358 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -70.4 -19.64 62.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 30.9 m -102.81 -41.61 6.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.4 mt -66.76 -45.02 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.9 mt -66.63 -17.24 64.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.79 -48.48 7.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -26.52 63.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 -179.953 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.873 0.368 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -131.94 111.26 11.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.948 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.511 HG22 ' HA ' ' A' ' 23' ' ' SER . 23.1 mm -113.51 131.77 64.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.8 t -51.86 150.52 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -103.04 21.64 15.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.1 t -131.84 -42.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.4 p -116.54 -12.04 11.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.511 ' HA ' HG22 ' A' ' 18' ' ' ILE . 28.4 t 58.71 63.78 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -125.65 168.96 13.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.79 -36.05 0.37 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -22.19 61.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -87.32 -0.3 56.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.473 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.3 p-10 -50.34 -27.52 6.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -51.37 -28.92 13.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -124.2 32.44 5.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.502 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.2 mt -85.53 143.66 28.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.6 HD21 ' HD3' ' A' ' 54' ' ' PRO . 7.8 mp -104.26 150.06 24.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -114.03 131.78 56.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.2 t -87.15 138.34 31.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -91.09 46.25 1.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.28 -39.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.3 p -126.04 -1.8 7.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t0 51.49 56.31 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -101.6 -179.78 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.829 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.502 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.1 m120 -125.89 122.33 35.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.473 ' HB3' HD21 ' A' ' 46' ' ' LEU . 86.0 m-85 -138.44 136.28 36.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -81.49 172.79 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.746 HD13 ' HA ' ' A' ' 52' ' ' GLU . 9.7 pt -91.9 -0.49 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -127.42 13.79 7.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.5 m -111.13 -24.28 10.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.473 HD21 ' HB3' ' A' ' 41' ' ' TYR . 8.7 mt -70.87 -169.42 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.423 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.88 105.53 0.45 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.622 0.725 . . . . 0.0 110.938 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.5 Cg_endo -69.78 148.33 86.53 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.303 -0.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 178.7 4.32 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.369 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.472 HD11 ' HE1' ' A' ' 58' ' ' TRP . 47.0 mt -119.25 157.98 49.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.608 0.718 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -44.84 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.746 ' HA ' HD13 ' A' ' 43' ' ' ILE . 13.0 pt-20 -169.38 176.63 5.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.558 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.5 mm -51.52 131.42 35.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 111.122 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.6 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.78 172.32 12.87 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.0 mtt85 -96.26 -73.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.14 -144.03 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.9 mt -83.06 131.07 34.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.127 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.472 ' HE1' HD11 ' A' ' 50' ' ' LEU . 75.3 t90 -117.49 140.16 49.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.4 160.31 21.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.528 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.7 p -96.26 158.84 33.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.528 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.6 Cg_endo -69.79 -23.85 30.2 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -19.51 62.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 23.1 m -102.55 -41.99 6.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mt -66.41 -45.47 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.6 mt -65.64 -16.93 64.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.27 -45.73 9.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.086 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -73.59 -32.39 64.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.3 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.945 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -121.36 113.01 19.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.3 mm -116.87 131.75 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.1 t -54.33 152.64 6.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -107.3 24.48 12.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.8 t -133.64 -41.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.0 p -116.09 -16.84 11.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m 63.95 63.24 0.83 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.7 mmt-85 -123.31 179.99 4.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.01 -40.26 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.539 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.31 -22.14 60.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -84.92 0.01 52.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.453 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.8 p-10 -49.91 -27.42 5.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -51.36 -28.6 12.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -123.64 32.44 5.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.9 mt -88.13 133.79 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.54 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -93.97 156.59 16.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -119.5 129.31 54.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.2 t -84.24 139.2 32.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -91.44 45.62 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.19 -39.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 p -125.46 -2.34 7.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.5 t0 51.59 55.84 8.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -100.7 -179.91 4.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.538 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.3 m120 -125.13 122.22 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.513 ' HB3' HD21 ' A' ' 46' ' ' LEU . 87.4 m-85 -138.02 134.8 35.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -79.85 -179.61 7.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.828 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.663 HD13 ' HA ' ' A' ' 52' ' ' GLU . 30.7 pt -97.28 -11.68 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -116.06 17.02 15.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 33.2 m -114.19 -25.32 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.513 HD21 ' HB3' ' A' ' 41' ' ' TYR . 14.0 mt -68.2 -169.5 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.43 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.66 105.47 0.46 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.59 0.71 . . . . 0.0 110.942 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.9 Cg_endo -69.76 148.23 86.31 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.313 -0.062 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 160.61 49.08 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.377 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.8 mt -102.4 159.61 28.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.699 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -41.11 4.62 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.663 ' HA ' HD13 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -174.8 -179.09 1.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.8 mm -50.79 131.27 28.68 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.64 0.733 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.54 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.4 Cg_endo -69.75 176.56 6.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -98.05 -74.89 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.83 -148.64 0.5 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 83.6 mt -74.9 129.86 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.426 ' CD2' HD23 ' A' ' 32' ' ' LEU . 76.2 t90 -117.24 139.41 50.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -117.15 160.34 21.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.524 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.0 p -95.53 158.74 34.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.729 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.524 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.2 Cg_endo -69.76 -24.18 29.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.686 2.258 . . . . 0.0 112.345 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -70.64 -18.78 62.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.9 m -103.1 -41.97 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.1 mt -66.75 -45.3 88.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.93 -17.1 64.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.66 -47.65 7.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -28.26 62.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.84 -179.903 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -124.38 111.21 15.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.5 mm -115.67 132.51 64.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.0 t -55.86 152.95 9.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -106.69 23.7 13.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.6 t -133.68 -42.29 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.6 p -115.32 -17.23 11.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.4 m 63.79 63.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -122.85 179.81 4.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.35 -39.67 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -22.14 61.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.756 0.312 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -85.32 0.02 53.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.468 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.9 p-10 -49.96 -27.68 5.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -28.8 12.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -123.7 32.99 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 40' ' ' ASN . 4.0 mt -88.59 135.23 33.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.545 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -96.32 157.24 15.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -119.57 128.82 54.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.0 t -83.94 138.51 33.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -91.16 46.05 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.56 -39.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.14 -2.79 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t70 51.63 57.29 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -103.27 -179.81 4.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.816 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.535 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.5 m120 -124.86 122.24 36.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -137.11 135.94 37.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -80.98 177.25 9.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.75 HD13 ' HA ' ' A' ' 52' ' ' GLU . 13.2 pt -95.67 -2.7 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -126.1 17.62 7.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.3 m -114.54 -24.99 8.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mt -70.12 -169.45 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.444 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.98 105.57 0.44 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 0.0 110.904 179.873 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.444 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.2 Cg_endo -69.84 148.31 86.65 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.318 -0.068 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 176.49 6.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.433 HD11 ' HE1' ' A' ' 58' ' ' TRP . 26.9 mt -118.42 159.34 44.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.928 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -42.19 3.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.311 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.75 ' HA ' HD13 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -174.33 -178.73 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.7 mm -51.01 131.17 30.33 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.625 0.726 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.545 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.76 177.32 5.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -98.35 -74.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.84 -146.54 0.38 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.6 mt -76.96 130.94 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.433 ' HE1' HD11 ' A' ' 50' ' ' LEU . 79.0 t90 -117.83 140.19 50.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.28 160.4 21.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.526 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.3 p -95.83 158.74 33.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.864 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.7 Cg_endo -69.78 -24.11 29.98 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.377 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.62 -18.89 62.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.0 m -103.05 -41.99 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.2 mt -66.72 -45.4 88.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.08 -17.44 64.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.92 -44.08 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -27.87 61.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.908 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.4 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.895 0.378 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -121.71 112.26 18.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.7 mm -115.34 130.67 69.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.158 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.8 t -53.86 154.05 4.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -107.76 22.42 15.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.2 t -132.06 -42.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -115.6 -17.21 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 m 63.84 63.58 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -123.3 179.91 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.5 -39.82 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.448 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.45 -22.06 60.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.726 0.298 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -85.51 -0.06 53.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.457 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.9 p-10 -49.76 -27.7 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.39 -28.62 13.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -123.64 32.57 5.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 40' ' ' ASN . 4.0 mt -88.1 133.75 33.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.546 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -93.79 156.32 16.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -119.11 129.62 55.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.3 t -84.54 138.82 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -91.27 45.78 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.3 -38.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.507 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 p -126.22 -1.39 7.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.78 56.49 7.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.81 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -101.2 -179.9 4.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.537 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.3 m120 -125.08 122.28 36.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.521 ' HB3' HD21 ' A' ' 46' ' ' LEU . 86.3 m-85 -138.11 134.95 35.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.2 m170 -80.45 177.97 8.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.876 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.609 HD13 ' HA ' ' A' ' 52' ' ' GLU . 40.6 pt -93.97 -13.82 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -114.41 16.89 17.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.2 m -113.56 -25.38 8.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 41' ' ' TYR . 14.3 mt -68.4 -169.47 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.5 105.43 0.47 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.619 0.723 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.8 Cg_endo -69.74 148.26 86.29 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.315 -0.154 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 160.26 50.34 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.325 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.4 mt -101.99 159.54 29.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.634 0.731 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -40.19 5.62 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.609 ' HA ' HD13 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -175.09 -179.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.7 mm -51.06 131.27 30.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.546 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.7 175.99 7.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.379 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -97.6 -74.87 0.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.51 -148.23 0.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.1 mt -75.47 130.11 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.424 ' CD2' HD23 ' A' ' 32' ' ' LEU . 76.2 t90 -117.36 139.37 50.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -117.13 160.31 21.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.526 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.3 p -95.44 158.76 34.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.655 0.741 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.3 Cg_endo -69.75 -24.16 30.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.61 -18.86 62.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.7 m -103.05 -42.04 5.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.811 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.3 mt -66.7 -45.41 88.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.69 -17.16 64.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.25 -47.7 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -27.93 62.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.2 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.862 0.363 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -117.29 111.98 20.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.2 mm -114.26 132.79 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.4 t -56.03 153.86 8.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -107.18 22.75 15.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.4 t -132.62 -42.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -114.95 -16.81 11.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m 63.78 63.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.0 mmt-85 -125.07 174.62 7.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.72 -37.87 0.18 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -22.32 61.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.791 0.329 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -85.26 -0.44 54.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.474 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.1 p-10 -50.43 -27.89 7.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.3 -29.06 13.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -124.25 32.84 5.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.504 HD13 ' HB3' ' A' ' 40' ' ' ASN . 3.3 mt -86.27 144.05 27.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.955 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.595 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.0 mp -104.52 150.33 24.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -115.25 130.26 56.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.5 t -85.2 140.24 31.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -91.32 45.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.83 -43.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.47 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.9 p -117.98 -13.99 10.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 t70 63.63 48.5 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -95.69 -179.12 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.504 ' HB3' HD13 ' A' ' 31' ' ' LEU . 1.2 m120 -125.53 122.28 36.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -137.23 135.72 37.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -81.37 171.93 14.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.749 HD13 ' HA ' ' A' ' 52' ' ' GLU . 10.1 pt -90.96 -0.15 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -127.99 15.76 6.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.2 m -112.67 -24.61 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.07 -169.5 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.452 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.6 105.5 0.46 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.618 0.723 . . . . 0.0 110.952 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.4 Cg_endo -69.78 148.32 86.52 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.337 -0.104 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -179.75 3.14 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.47 HD11 ' HE1' ' A' ' 58' ' ' TRP . 46.6 mt -120.62 157.66 53.66 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.613 0.72 . . . . 0.0 110.922 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -44.48 2.06 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.749 ' HA ' HD13 ' A' ' 43' ' ' ILE . 10.2 pt-20 -169.45 176.77 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.553 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.4 mm -51.53 131.43 35.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 0.0 111.164 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.595 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.79 171.61 14.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.25 -72.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.17 -143.88 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.0 mt -83.62 130.81 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.47 ' HE1' HD11 ' A' ' 50' ' ' LEU . 75.6 t90 -117.6 140.83 49.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.63 160.31 22.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.531 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -96.4 158.87 33.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.531 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.2 Cg_endo -69.73 -23.86 30.48 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -70.73 -19.24 62.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 23.3 m -102.91 -41.59 6.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.8 mt -66.92 -45.21 87.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.95 -16.96 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.77 -37.8 11.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -76.67 -32.99 58.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.4 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -122.0 111.26 16.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.523 HG22 ' HA ' ' A' ' 23' ' ' SER . 24.9 mm -116.31 132.52 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.2 t -51.94 151.1 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -103.67 23.07 13.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.5 t -134.22 -41.47 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.4 p -116.8 -12.95 10.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.523 ' HA ' HG22 ' A' ' 18' ' ' ILE . 28.1 t 58.65 64.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.7 mmt-85 -125.64 168.81 13.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.36 -37.24 0.34 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -59.56 -21.97 61.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.763 0.316 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -86.84 -0.1 55.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.475 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.1 p-10 -50.15 -27.21 5.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -51.49 -28.45 13.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -123.82 31.86 5.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.53 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.63 138.36 31.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.548 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.7 mp -98.91 156.67 16.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -119.78 128.86 54.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.1 t -82.98 139.02 33.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -91.19 45.87 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.76 -39.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -125.43 -2.51 7.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 45.5 t0 51.69 56.68 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -101.41 -179.76 4.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.53 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -124.43 122.22 37.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.443 ' HB3' HD21 ' A' ' 46' ' ' LEU . 82.9 m-85 -138.99 134.23 32.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -78.93 -175.23 4.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.774 HD13 ' HA ' ' A' ' 52' ' ' GLU . 7.5 pt -103.84 -7.11 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -119.05 13.05 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.7 m -110.68 -23.88 10.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.443 HD21 ' HB3' ' A' ' 41' ' ' TYR . 11.7 mt -69.95 -169.38 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.32 105.6 0.43 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.911 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 54.0 Cg_endo -69.75 148.29 86.38 Favored 'Cis proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.357 -0.16 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 170.2 17.1 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.701 2.268 . . . . 0.0 112.358 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.6 mt -111.87 159.4 33.63 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.597 0.713 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -43.6 2.59 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.701 2.267 . . . . 0.0 112.312 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.774 ' HA ' HD13 ' A' ' 43' ' ' ILE . 1.4 pt-20 -171.92 -178.81 2.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.406 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.4 mm -51.51 131.36 35.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.637 0.732 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.548 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.75 172.61 12.31 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -95.48 -74.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.08 -146.84 0.14 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.2 mt -78.89 130.63 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.426 ' CG ' HD23 ' A' ' 32' ' ' LEU . 74.2 t90 -117.28 139.69 50.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.8 160.27 21.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.523 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -95.08 158.69 34.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.7 Cg_endo -69.73 -24.56 29.7 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -18.58 63.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 19.1 m -103.09 -41.93 5.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.2 mt -66.38 -45.1 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.95 -17.48 57.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.07 -44.42 7.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -75.54 -12.42 60.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.8 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.946 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.861 0.362 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -117.1 111.23 19.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.653 HG22 ' HA ' ' A' ' 23' ' ' SER . 24.9 mm -112.61 135.5 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.1 t -51.88 151.54 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -102.94 21.63 15.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.2 t -133.75 -41.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.15 -17.68 10.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.653 ' HA ' HG22 ' A' ' 18' ' ' ILE . 12.4 t 63.6 63.92 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -126.31 166.06 17.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -127.21 -36.24 0.51 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -22.16 61.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -88.12 -0.03 56.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.477 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.2 p-10 -50.36 -27.03 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.5 -28.34 13.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -124.06 31.66 5.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.514 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.4 mt -85.8 142.32 29.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.544 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -103.14 155.92 18.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -119.63 128.2 53.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.4 t -82.3 139.11 34.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -91.21 45.74 1.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.82 -38.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 p -125.31 -2.56 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 t0 51.62 57.01 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -101.78 -179.72 4.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.514 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.1 m120 -124.54 122.27 37.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -139.11 135.31 33.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -80.35 -177.16 6.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.779 HD13 ' HA ' ' A' ' 52' ' ' GLU . 7.9 pt -101.7 -4.29 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.142 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -122.64 14.09 10.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.3 m -110.35 -23.3 11.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.2 mt -72.49 -169.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.2 105.49 0.44 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.612 0.72 . . . . 0.0 110.923 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.0 Cg_endo -69.81 148.27 86.49 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.32 -0.092 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 179.4 3.72 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.4 mt -119.88 159.14 47.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.595 0.712 . . . . 0.0 110.959 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -43.77 2.46 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.708 2.272 . . . . 0.0 112.36 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.779 ' HA ' HD13 ' A' ' 43' ' ' ILE . 1.2 pt-20 -172.01 -179.49 2.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.414 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.3 mm -51.46 131.47 34.64 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.666 0.746 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.544 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.75 171.65 14.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.264 . . . . 0.0 112.322 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.81 -74.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.71 -146.58 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.8 mt -79.33 130.97 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.428 ' CD2' HD23 ' A' ' 32' ' ' LEU . 74.2 t90 -117.63 139.93 50.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.21 160.27 21.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.523 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.29 158.71 34.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.5 Cg_endo -69.76 -24.35 29.78 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.326 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -18.81 62.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.1 m -103.03 -42.01 5.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mt -66.51 -45.27 89.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.9 mt -64.45 -16.82 63.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.3 -45.48 8.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -24.53 60.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.44 168.46 14.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.895 0.379 . . . . 0.0 110.879 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 t -133.38 -42.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.94 120.09 3.88 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.524 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 m 59.08 90.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.8 m -119.45 -175.23 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.72 83.0 1.34 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -170.53 38.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.786 0.327 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 m -146.93 78.34 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.8 t -138.12 105.17 5.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -121.22 144.38 48.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -158.61 140.94 14.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -129.8 129.98 44.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.5 mt -135.27 104.23 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -119.3 49.05 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.01 162.65 34.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -129.19 113.33 14.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.6 mm -116.07 129.25 72.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.9 t -52.1 154.3 2.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -108.1 22.21 16.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.3 t -131.22 -42.89 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.25 -16.92 11.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m 63.84 63.44 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -123.77 -179.91 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.42 -40.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.434 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -22.51 61.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.781 0.324 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -83.74 -0.21 49.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.8 p-10 -49.95 -27.9 6.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.53 -28.61 14.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -123.86 32.03 5.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.46 139.56 30.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.543 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.7 mp -100.72 155.83 17.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -118.62 129.27 55.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 t -83.42 138.95 33.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -91.29 45.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.49 -39.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.454 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -125.43 -2.46 7.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 51.59 57.06 6.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -102.48 -179.72 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.509 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.3 m120 -123.53 122.27 37.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -139.33 132.78 30.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -78.09 179.71 6.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.632 HD13 ' HA ' ' A' ' 52' ' ' GLU . 42.2 pt -94.37 -16.97 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -110.23 13.96 22.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.8 m -111.08 -24.24 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.55 -169.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.42 105.65 0.43 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.719 . . . . 0.0 110.901 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.7 Cg_endo -69.77 148.37 86.6 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.341 -0.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 169.38 19.01 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.694 2.263 . . . . 0.0 112.355 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.3 mt -113.57 159.55 35.08 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.589 0.709 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -39.73 6.26 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.658 2.239 . . . . 0.0 112.375 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.632 ' HA ' HD13 ' A' ' 43' ' ' ILE . 8.3 pt-20 -173.22 -179.14 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.403 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.5 mm -51.47 131.45 34.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.599 0.714 . . . . 0.0 111.121 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.543 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.71 172.08 13.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -95.61 -74.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.02 -144.85 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.0 mt -81.77 130.96 34.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.428 ' CG ' HD23 ' A' ' 32' ' ' LEU . 74.8 t90 -117.48 139.84 50.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.05 160.26 21.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.525 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.35 158.71 34.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.663 0.744 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.7 Cg_endo -69.75 -24.31 29.87 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -18.86 62.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.5 m -103.09 -41.99 5.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.3 mt -66.52 -45.11 89.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.32 -16.75 63.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.22 -47.73 7.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -29.88 65.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -52.25 -57.73 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.61 109.11 7.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -127.75 154.76 77.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.649 0.738 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 169.38 19.08 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.707 2.271 . . . . 0.0 112.333 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 81.72 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.631 2.221 . . . . 0.0 112.348 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -174.28 32.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -147.65 36.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -111.16 132.88 53.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.79 -136.5 3.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -110.27 143.77 39.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.73 165.89 18.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.06 169.43 18.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -128.4 109.6 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.1 t -52.58 156.84 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -81.22 159.1 24.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.23 168.82 0.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -112.54 142.19 45.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.0 m -104.79 94.93 5.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.22 -26.36 13.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 m 58.07 78.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 148.32 73.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 143.13 49.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.627 2.218 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.0 m 60.27 -177.74 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 m -165.5 118.12 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.123 -0.82 . . . . 0.0 112.461 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.22 167.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 0.0 110.844 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.96 -172.49 3.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.83 124.93 0.83 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t -161.99 100.95 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 110.898 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.68 96.55 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.45 -81.41 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.56 163.78 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.804 0.335 . . . . 0.0 110.847 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.71 97.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.77 150.5 28.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.98 111.44 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -142.07 146.35 35.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -153.64 130.79 11.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 mp -102.43 124.39 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -89.8 48.87 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.7 m -151.45 161.13 43.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -127.26 112.96 15.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.1 mm -116.43 129.14 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.8 t -52.2 154.45 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -108.15 22.13 16.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.3 t -131.39 -42.61 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.38 -17.0 11.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m 63.82 63.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.1 mmt-85 -123.63 179.95 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.34 -40.39 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -59.16 -22.57 61.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.766 0.317 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -83.68 -0.18 49.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.458 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.8 p-10 -49.94 -27.92 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -51.56 -28.56 14.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -123.81 32.18 5.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.7 mt -86.91 141.22 28.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.545 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -102.49 155.66 18.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -118.99 128.09 54.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.6 t -82.46 139.16 34.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -91.27 45.66 1.26 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.64 -38.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 p -124.97 -3.1 7.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.5 t70 51.77 57.16 6.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -103.03 -179.77 4.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.505 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -123.52 122.24 37.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.526 ' HB3' HD21 ' A' ' 46' ' ' LEU . 83.1 m-85 -138.92 133.82 32.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -79.2 179.46 7.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.665 HD13 ' HA ' ' A' ' 52' ' ' GLU . 32.9 pt -95.16 -14.18 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -113.24 14.53 19.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.9 m -111.32 -23.98 10.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 41' ' ' TYR . 12.6 mt -70.49 -169.44 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.439 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.47 105.61 0.42 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.61 0.719 . . . . 0.0 110.953 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.8 Cg_endo -69.79 148.28 86.45 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.319 -0.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 172.2 13.02 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.7 mt -115.34 159.78 36.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.717 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -41.17 4.58 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.709 2.273 . . . . 0.0 112.362 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.665 ' HA ' HD13 ' A' ' 43' ' ' ILE . 11.2 pt-20 -173.01 -179.13 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.404 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.4 mm -51.53 131.44 35.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.636 0.732 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.545 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.4 Cg_endo -69.83 171.89 13.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -95.04 -74.95 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.48 -145.56 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 88.6 mt -80.39 131.38 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.423 ' CG ' HD23 ' A' ' 32' ' ' LEU . 75.4 t90 -118.05 140.21 50.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.61 160.28 22.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.525 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -95.56 158.76 33.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.649 0.738 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.4 Cg_endo -69.81 -24.16 29.74 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.319 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -70.58 -18.93 62.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.9 m -102.97 -41.92 5.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.7 mt -66.68 -45.35 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.6 mt -65.47 -16.99 64.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.71 -48.19 6.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -27.83 65.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.8 t -75.18 92.38 2.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.7 mttt 58.19 -176.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -170.03 156.64 5.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.532 0.682 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 164.63 33.85 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.704 2.269 . . . . 0.0 112.351 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 83.63 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.673 2.248 . . . . 0.0 112.392 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.53 35.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -146.59 128.21 15.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -144.42 101.48 3.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.71 135.94 7.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.523 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -94.01 121.33 35.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.97 114.93 8.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -169.8 -45.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.09 -26.06 63.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 58.29 42.55 21.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -59.37 174.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 60.26 -179.35 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 60.41 173.9 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.8 m -99.29 149.13 23.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tp -161.49 152.1 17.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 94.0 p -171.84 142.62 1.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -130.14 159.95 22.83 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 148.92 66.18 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.686 2.258 . . . . 0.0 112.346 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -99.53 58.54 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.5 176.48 6.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.494 -179.945 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.4 173.36 7.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 m -97.96 163.53 12.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.21 149.03 17.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 m -125.48 -38.81 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.864 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -129.69 141.26 50.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.48 112.21 1.24 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -108.56 70.19 0.74 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.813 0.34 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.96 109.13 21.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.42 110.97 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.5 111.83 20.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.6 155.45 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -154.38 -170.06 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.6 mt -143.82 112.87 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -142.8 32.99 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 m -93.99 -171.54 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -131.15 112.9 13.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.6 mm -116.35 129.02 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 t -51.98 154.2 2.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -108.01 22.21 16.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -131.38 -42.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.3 -17.02 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 m 63.88 63.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.8 mmt85 -123.72 -179.95 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.46 -40.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.24 -22.54 61.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -83.61 -0.12 49.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.446 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.7 p-10 -49.97 -27.95 6.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -28.66 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -123.81 32.25 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.66 140.3 29.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.544 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.7 mp -101.48 155.73 17.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -118.76 128.84 54.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 t -82.78 139.18 33.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -91.33 45.69 1.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.7 -39.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.478 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.23 -2.78 7.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.7 t0 51.71 56.99 7.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -102.29 -179.77 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.506 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -123.33 122.31 38.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.489 ' HB3' HD21 ' A' ' 46' ' ' LEU . 82.0 m-85 -139.47 132.77 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -78.12 -179.44 6.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.633 HD13 ' HA ' ' A' ' 52' ' ' GLU . 42.0 pt -95.54 -16.71 7.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -110.47 14.33 22.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.7 m -111.36 -23.74 10.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 41' ' ' TYR . 10.9 mt -70.3 -169.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.41 105.62 0.43 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.632 0.73 . . . . 0.0 110.869 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.447 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.8 Cg_endo -69.74 148.3 86.4 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.667 -1.806 . . . . 0.0 112.358 -0.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.35 19.13 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.2 mt -113.12 159.48 34.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.637 0.732 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -39.95 5.84 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.65 2.234 . . . . 0.0 112.361 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.633 ' HA ' HD13 ' A' ' 43' ' ' ILE . 4.9 pt-20 -173.26 -179.15 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.406 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.4 mm -51.49 131.48 35.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.728 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.544 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.4 Cg_endo -69.76 171.87 13.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.66 -74.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.17 -144.12 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.9 mt -82.72 131.12 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 111.101 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.429 ' CG ' HD23 ' A' ' 32' ' ' LEU . 75.1 t90 -117.54 140.09 50.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.46 160.3 21.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.522 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.36 158.67 34.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.522 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.9 Cg_endo -69.74 -24.38 29.84 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -70.5 -18.73 62.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 19.6 m -103.06 -42.16 5.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.3 mt -66.5 -45.38 89.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.18 -16.83 63.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.32 -37.0 11.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -78.9 -26.78 43.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.1 t -52.33 -29.96 26.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -56.77 176.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.403 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 9.3 mt-30 64.37 154.11 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.618 0.723 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 70' ' ' GLN . 53.4 Cg_endo -69.75 168.68 20.85 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 79.46 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.308 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -173.45 37.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -167.41 41.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.071 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -116.25 -58.75 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.5 -95.59 0.16 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -98.97 130.09 45.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -96.99 158.59 15.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -101.9 40.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 62.33 94.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.9 t -65.19 152.14 44.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -149.43 84.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -140.73 54.16 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 55.67 90.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.925 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.0 p -85.01 94.13 8.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.4 mt -79.38 169.65 17.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.5 m -98.31 -69.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.57 165.08 30.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -18.52 37.38 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.39 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.1 m 58.08 74.67 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.71 142.4 32.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.469 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 p -153.93 126.29 7.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.359 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.49 139.01 3.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.93 168.9 31.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.4 p -169.56 149.42 3.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -150.11 172.12 15.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.81 127.59 1.75 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -175.72 93.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.11 148.0 43.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.08 169.22 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.75 -53.12 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 56.87 -172.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -160.72 150.7 17.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 mp -93.28 108.22 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.4 34.89 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 m -137.12 -177.54 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -129.08 113.63 15.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.7 mm -116.28 131.58 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.6 t -54.74 153.73 5.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -107.43 22.86 15.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -132.45 -42.37 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.59 -16.76 11.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m 63.77 63.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -124.82 175.74 7.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -136.9 -38.23 0.16 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -22.36 61.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.742 0.306 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -85.08 -0.32 54.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.47 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.1 p-10 -50.51 -27.94 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.28 -29.04 13.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -124.23 32.82 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.502 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.4 mt -86.17 143.34 28.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.611 HD21 ' HD3' ' A' ' 54' ' ' PRO . 7.8 mp -103.92 149.91 24.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -113.82 131.63 56.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.6 t -87.54 138.42 31.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -91.1 46.14 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.01 -39.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.521 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.9 p -125.76 -2.23 7.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 110.823 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 47.5 t0 51.69 56.14 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -102.25 -179.77 4.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.502 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.3 m120 -125.42 122.29 36.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -137.63 135.8 36.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -81.53 170.81 15.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.748 HD13 ' HA ' ' A' ' 52' ' ' GLU . 9.9 pt -89.96 -0.5 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -127.76 16.11 6.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.5 m -113.13 -24.51 9.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 mt -71.05 -169.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.61 105.51 0.46 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.613 0.721 . . . . 0.0 110.923 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 54.0 Cg_endo -69.73 148.28 86.32 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.337 -0.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 178.45 4.54 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.488 HD11 ' HE1' ' A' ' 58' ' ' TRP . 42.0 mt -118.58 157.78 48.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.616 0.722 . . . . 0.0 110.945 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -44.36 2.11 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.383 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.748 ' HA ' HD13 ' A' ' 43' ' ' ILE . 6.4 pt-20 -169.85 176.66 4.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.564 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.7 mm -51.51 131.4 35.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.679 0.752 . . . . 0.0 111.148 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.611 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.72 173.5 10.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -96.97 -74.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.05 -144.53 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.4 mt -81.99 130.87 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.488 ' HE1' HD11 ' A' ' 50' ' ' LEU . 75.1 t90 -117.37 140.13 49.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.41 160.27 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.528 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.6 p -96.41 158.84 33.18 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.685 0.755 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.528 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.6 Cg_endo -69.78 -23.47 30.68 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -19.76 62.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 28.6 m -102.65 -41.34 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.0 mt -66.84 -45.26 88.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.8 mt -66.09 -17.01 64.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.51 -49.35 6.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -70.08 -31.03 68.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.34 179.44 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 58.04 -178.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -78.44 154.92 79.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 162.07 43.52 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.715 2.276 . . . . 0.0 112.317 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 79.07 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -167.22 29.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.58 128.26 21.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.072 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -88.95 -38.6 14.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.94 139.78 2.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.463 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -139.76 133.79 30.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -115.41 34.6 4.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -115.04 135.95 53.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -170.31 115.03 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.2 p -83.48 84.03 7.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.72 64.08 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -110.97 42.09 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -94.49 -31.92 13.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.2 t -89.58 122.95 33.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.1 tp -90.12 134.05 34.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.89 128.64 33.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -154.68 67.19 0.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.447 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 107.14 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.629 2.219 . . . . 0.0 112.323 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.21 97.89 6.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.8 m 57.34 46.07 19.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.493 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 52.58 32.64 12.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 0.0 110.812 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -67.4 176.65 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.64 107.38 0.29 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 p -126.07 100.9 6.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.918 0.389 . . . . 0.0 110.846 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.06 177.76 8.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.18 146.37 5.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.488 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -133.02 148.6 52.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.74 -179.61 3.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.827 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 t -99.86 -176.89 3.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.01 132.14 34.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -168.45 179.87 4.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -165.44 124.79 1.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.0 mp -105.53 134.71 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -92.92 50.38 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.03 -179.11 6.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -117.16 112.94 21.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.2 mm -116.18 129.04 73.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.4 t -52.01 154.54 2.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -108.24 21.93 16.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.1 t -131.18 -42.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -115.24 -17.05 11.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 m 63.86 63.4 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -123.59 179.98 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.39 -40.2 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -22.61 61.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.324 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -83.7 -0.26 50.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.466 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.9 p-10 -50.05 -28.09 6.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -51.54 -28.72 14.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -123.85 32.47 5.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.9 140.86 29.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.562 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.4 mp -101.81 152.86 20.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -116.51 129.64 56.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 t -84.13 139.05 32.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -91.18 45.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.63 -39.12 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -125.47 -2.45 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.0 t0 51.65 56.47 7.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.809 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -101.43 -179.83 4.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.505 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.2 m120 -124.49 122.27 37.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.582 ' HB3' HD21 ' A' ' 46' ' ' LEU . 85.8 m-85 -139.0 133.69 32.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -79.4 176.43 9.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.659 HD13 ' HA ' ' A' ' 52' ' ' GLU . 33.9 pt -92.73 -10.67 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -117.94 17.88 14.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.9 m -114.25 -23.8 9.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.582 HD21 ' HB3' ' A' ' 41' ' ' TYR . 11.8 mt -71.85 -169.33 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.442 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.01 105.44 0.44 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.62 0.724 . . . . 0.0 110.936 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.6 Cg_endo -69.76 148.25 86.34 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.361 -0.105 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 176.31 6.94 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.694 2.263 . . . . 0.0 112.377 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.84 158.42 45.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -41.95 3.9 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.329 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.659 ' HA ' HD13 ' A' ' 43' ' ' ILE . 3.6 pt-20 -171.95 178.57 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.454 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.8 mm -51.41 131.42 34.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.562 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.0 Cg_endo -69.73 171.45 14.41 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.37 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -95.67 -73.64 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.15 -144.27 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.448 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 91.2 mt -82.71 131.05 34.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.43 ' CG ' HD23 ' A' ' 32' ' ' LEU . 74.6 t90 -117.69 140.42 49.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.81 160.13 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.53 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.6 p -95.35 158.77 34.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.53 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.0 Cg_endo -69.73 -24.61 29.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -70.44 -18.79 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.3 m -102.82 -42.39 5.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.3 mt -66.4 -45.24 89.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.8 mt -66.16 -17.29 64.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.06 -48.54 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.056 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -29.33 67.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 40.7 t -55.49 -66.22 0.45 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -77.18 79.45 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.48 158.64 56.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.624 0.726 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 165.03 32.32 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.719 2.28 . . . . 0.0 112.337 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 83.7 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.313 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -175.32 35.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.56 65.93 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -147.05 123.4 10.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.45 122.92 5.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -91.74 -33.07 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 59.84 81.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -166.7 -55.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 59.34 179.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.8 m 59.63 96.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.44 118.43 6.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -81.26 128.1 33.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.96 104.82 7.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 86.4 p -77.33 135.68 38.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.1 tp -74.76 134.57 41.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.994 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.2 m -105.8 134.67 48.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -130.04 -165.8 11.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.536 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 121.1 7.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 t -146.62 -62.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 p -124.16 137.13 54.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.498 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -170.25 101.86 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 110.898 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.91 170.27 9.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.7 -63.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.522 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.51 125.8 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 0.0 110.844 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 p -171.33 128.05 0.68 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.45 -127.94 2.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -140.69 138.13 34.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.3 m -128.04 95.14 4.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.4 t -56.62 126.74 28.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.86 -175.26 4.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.39 124.11 51.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.22 98.83 10.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.8 mt -67.42 117.99 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -143.73 74.87 1.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.84 173.53 12.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -125.23 111.44 15.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.3 mm -114.11 132.77 62.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.4 t -56.0 153.78 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -107.18 22.67 15.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.3 t -132.46 -42.77 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -115.1 -16.82 11.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m 63.77 63.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -125.05 174.89 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.96 -37.99 0.18 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.36 -22.29 61.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -85.25 -0.44 54.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.474 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.1 p-10 -50.37 -28.05 7.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.26 -28.94 13.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mttp -124.26 32.82 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.3 mt -86.36 143.83 27.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.598 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.0 mp -104.29 150.22 24.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -115.15 130.11 56.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.3 t -85.0 140.16 31.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -91.32 46.08 1.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.03 -43.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.1 p -118.02 -14.08 9.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.795 0.331 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.9 t0 63.62 48.85 3.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -96.12 -179.35 4.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.505 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.3 m120 -125.28 122.25 36.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -137.23 135.77 37.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -81.31 171.99 14.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.75 HD13 ' HA ' ' A' ' 52' ' ' GLU . 10.0 pt -91.12 -0.17 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -127.94 15.6 6.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.4 m -112.46 -24.66 9.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.03 -169.33 0.35 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.453 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.8 105.47 0.45 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.617 0.723 . . . . 0.0 110.902 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.8 Cg_endo -69.76 148.24 86.32 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.323 -0.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -179.5 2.95 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.473 HD11 ' HE1' ' A' ' 58' ' ' TRP . 46.5 mt -120.88 157.7 54.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -44.54 2.02 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.75 ' HA ' HD13 ' A' ' 43' ' ' ILE . 17.9 pt-20 -169.49 176.74 4.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.557 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.4 mm -51.53 131.44 35.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 111.125 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.598 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.82 171.15 15.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.258 . . . . 0.0 112.345 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -95.88 -72.36 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.27 -143.26 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 88.6 mt -84.35 131.46 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.159 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.473 ' HE1' HD11 ' A' ' 50' ' ' LEU . 76.3 t90 -118.21 141.0 48.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.89 160.32 22.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.529 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -96.49 158.93 32.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.529 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.0 Cg_endo -69.77 -23.79 30.36 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.73 2.287 . . . . 0.0 112.328 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -70.7 -19.29 62.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 26.5 m -102.86 -41.55 6.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.2 mt -66.92 -45.31 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.98 -17.36 64.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.12 -44.02 9.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.45 -28.2 61.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.4 t -52.0 -34.88 44.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -74.23 113.32 11.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.19 161.86 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.663 0.744 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 161.56 45.46 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 79.65 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -171.69 35.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -149.98 100.51 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.063 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -98.15 -35.66 10.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.46 67.36 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.96 166.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.82 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -135.18 108.6 7.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -132.5 143.43 49.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 56.92 -175.79 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.4 m -154.73 -52.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.01 167.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.52 110.29 22.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -81.86 75.43 8.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.8 m -153.46 61.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 61.31 99.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.45 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.427 ' N ' ' HD2' ' A' ' 89' ' ' PRO . . . -58.55 -62.46 6.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 54.0 Cg_endo -69.78 -17.09 37.69 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.636 2.224 . . . . 0.0 112.37 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.67 100.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.37 42.94 24.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.496 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 p -151.67 -74.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 0.0 110.859 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t -118.08 123.56 45.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.24 157.15 10.87 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.514 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.58 -175.83 3.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.908 0.385 . . . . 0.0 110.815 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.09 92.3 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.916 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.84 120.33 5.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.517 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -84.54 169.75 14.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 m -99.51 47.83 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -118.66 100.27 7.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.06 144.15 31.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -148.69 147.83 29.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -148.26 119.45 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.6 mp -105.47 150.59 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.56 52.55 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.91 174.12 6.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -117.85 112.88 20.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.2 mm -116.4 128.96 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 t -51.92 154.29 2.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -108.07 22.17 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.5 t -131.5 -42.52 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.35 -17.13 11.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 m 63.94 63.4 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -123.71 -179.97 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.44 -40.48 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -22.51 60.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -83.59 -0.25 49.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.443 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.8 p-10 -49.96 -27.88 6.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.52 -28.6 14.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -123.88 32.15 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.57 140.67 29.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.543 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -101.84 155.75 17.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -118.76 128.85 54.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.8 t -83.0 139.03 33.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -91.31 45.81 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.72 -38.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.35 -2.57 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 t0 51.48 57.22 6.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -102.65 -179.87 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.505 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -123.32 122.26 37.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.515 ' HB3' HD21 ' A' ' 46' ' ' LEU . 82.7 m-85 -139.27 132.84 30.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -78.18 -179.28 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.637 HD13 ' HA ' ' A' ' 52' ' ' GLU . 41.1 pt -95.7 -16.57 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -110.68 14.37 22.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.4 m -111.39 -23.91 10.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.515 HD21 ' HB3' ' A' ' 41' ' ' TYR . 12.0 mt -70.17 -169.35 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.442 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.47 105.56 0.42 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.637 0.732 . . . . 0.0 110.953 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 54.0 Cg_endo -69.73 148.3 86.36 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.38 -0.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 169.35 19.2 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.8 mt -112.92 159.52 34.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -40.12 5.67 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.315 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.637 ' HA ' HD13 ' A' ' 43' ' ' ILE . 3.2 pt-20 -173.27 -179.17 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.402 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.4 mm -51.47 131.46 34.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.543 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.78 172.08 13.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.303 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.63 -74.7 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.05 -145.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.438 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.9 mt -81.48 130.9 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.428 ' CG ' HD23 ' A' ' 32' ' ' LEU . 74.1 t90 -117.39 140.01 50.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.26 160.22 22.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.524 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.35 158.69 34.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.592 0.711 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.524 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.0 Cg_endo -69.76 -24.1 30.06 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -70.66 -18.9 62.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.5 m -103.11 -41.76 5.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.5 mt -66.88 -45.09 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.169 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.3 mt -65.89 -16.95 64.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.27 -40.27 10.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -77.18 -26.16 52.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.4 t -51.9 -41.62 62.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.19 137.72 49.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -142.68 155.02 63.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.656 0.741 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 164.47 34.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 81.22 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -177.62 35.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.88 123.68 4.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -115.55 177.86 4.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.21 133.92 6.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -161.81 146.21 12.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -151.64 149.35 29.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -141.37 126.89 18.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -148.65 27.12 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.3 t -149.22 152.19 35.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.17 -34.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 61.55 173.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -81.14 -44.1 18.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.6 t 56.83 47.59 17.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.8 137.58 40.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.7 m -97.72 -29.29 13.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 56.37 64.81 4.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -44.17 2.25 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.695 2.263 . . . . 0.0 112.381 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.21 32.85 22.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.07 119.0 16.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.536 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.25 172.19 15.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 m -158.12 131.42 7.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.29 -154.91 13.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -130.91 132.42 45.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.35 . . . . 0.0 110.88 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 p -104.8 168.91 8.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.2 139.31 10.87 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.512 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 62.19 -173.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.9 p -143.33 -55.3 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.0 142.29 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.02 80.63 1.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -119.01 158.9 24.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -154.73 103.78 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mp -92.02 91.18 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -105.56 54.98 0.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.0 m -141.6 -178.25 5.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -132.35 112.98 12.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.4 mm -116.05 128.83 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 t -51.96 154.31 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -108.07 22.2 16.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.9 t -131.33 -42.76 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.26 -17.04 11.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m 63.94 63.36 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -123.18 179.94 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.36 -41.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.447 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.09 -22.57 61.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -83.23 -0.09 47.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.447 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.6 p-10 -50.09 -27.65 5.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -28.85 12.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.7 mttp -123.85 32.69 5.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.515 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.7 mt -87.33 138.49 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.547 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.7 mp -99.48 155.9 17.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -118.93 128.85 54.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.8 t -82.7 139.31 33.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -91.43 45.58 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.58 -38.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.26 -2.66 7.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.363 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.7 t0 51.64 56.98 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -102.3 -179.75 4.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.515 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -123.35 122.24 37.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.433 ' HB3' HD21 ' A' ' 46' ' ' LEU . 82.0 m-85 -139.39 132.66 29.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -78.13 179.98 6.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.621 HD13 ' HA ' ' A' ' 52' ' ' GLU . 43.9 pt -94.62 -17.25 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -110.21 14.56 22.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.7 m -111.6 -23.89 10.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.433 HD21 ' HB3' ' A' ' 41' ' ' TYR . 9.6 mt -70.21 -169.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.446 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.41 105.61 0.43 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.653 0.739 . . . . 0.0 110.898 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.8 Cg_endo -69.79 148.27 86.43 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.339 -0.098 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 169.56 18.57 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.685 2.257 . . . . 0.0 112.355 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.8 mt -113.47 159.5 35.1 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.634 0.73 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -39.8 6.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.621 ' HA ' HD13 ' A' ' 43' ' ' ILE . 3.7 pt-20 -173.4 -179.1 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.406 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.5 mm -51.42 131.43 34.32 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.547 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.77 171.99 13.47 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.715 2.277 . . . . 0.0 112.316 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.6 -74.48 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.09 -144.57 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.8 mt -82.02 131.03 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.143 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.427 ' CG ' HD23 ' A' ' 32' ' ' LEU . 75.2 t90 -117.49 139.97 50.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.23 160.26 21.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.524 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.39 158.68 34.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.609 0.719 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.524 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.2 Cg_endo -69.72 -24.28 30.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.44 -18.93 63.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.8 m -103.04 -42.0 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.6 mt -66.64 -45.26 88.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.47 -16.95 64.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.73 -45.39 8.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -73.89 -26.9 60.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.1 -62.08 1.88 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.71 103.7 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -138.66 155.25 73.53 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.542 0.686 . . . . 0.0 110.943 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.08 25.5 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 80.52 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -173.11 31.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -142.58 26.71 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.096 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 58.68 177.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.92 90.85 0.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -125.75 176.44 6.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.2 165.69 35.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -110.98 77.04 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -113.06 122.31 47.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.3 t -70.48 155.98 39.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -146.19 -74.81 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 57.69 93.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -139.07 96.05 3.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.86 147.65 27.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 32.9 mt -58.36 114.77 2.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.48 39.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 160.62 -166.9 35.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 164.95 32.7 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.361 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.1 m -84.52 -51.2 7.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.5 m 61.26 48.17 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.5 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.424 -0.27 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.85 -43.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 t 58.09 28.9 17.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.24 85.65 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.4 129.1 35.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.878 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -179.31 159.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.21 161.66 9.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.97 155.61 20.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 m -153.95 43.64 0.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.35 135.25 15.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.92 104.64 4.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -100.23 153.19 19.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -157.3 116.34 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.6 mp -107.62 150.5 10.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.59 26.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.77 145.62 48.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -121.06 113.53 20.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.0 mm -117.75 128.02 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.3 t -52.0 150.92 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -105.34 22.65 15.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.7 t -130.68 -42.77 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.0 p -115.81 -16.58 11.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m 63.82 63.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -123.78 -179.97 4.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.71 -40.53 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -22.58 61.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -83.44 -0.22 49.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.45 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.8 p-10 -49.94 -27.84 5.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.65 -28.36 14.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -123.88 31.8 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.51 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.35 140.98 29.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.543 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.7 mp -102.2 155.83 17.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -118.67 129.03 55.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.0 t -83.45 138.98 33.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -91.22 45.76 1.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.55 -39.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.1 p -125.19 -2.82 7.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.322 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 51.74 56.8 7.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -102.52 -179.7 4.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.51 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -123.46 122.27 37.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.5 ' HB3' HD21 ' A' ' 46' ' ' LEU . 83.1 m-85 -139.22 132.76 30.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.6 m170 -77.77 -178.44 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.638 HD13 ' HA ' ' A' ' 52' ' ' GLU . 40.1 pt -96.9 -16.52 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -110.36 13.64 22.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.5 m -110.86 -24.38 10.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 41' ' ' TYR . 12.2 mt -69.33 -169.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.446 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.47 105.67 0.42 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.639 0.733 . . . . 0.0 110.893 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.7 Cg_endo -69.75 148.28 86.38 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.72 -1.783 . . . . 0.0 112.354 -0.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.63 21.02 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.2 mt -112.39 159.42 34.05 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.66 0.743 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -40.31 5.52 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.734 2.289 . . . . 0.0 112.334 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.638 ' HA ' HD13 ' A' ' 43' ' ' ILE . 8.3 pt-20 -172.94 -179.19 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.405 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.4 mm -51.48 131.41 34.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.543 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.71 172.19 13.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -95.65 -74.83 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.1 -145.57 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.7 mt -80.85 130.7 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.123 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.421 ' CG ' HD23 ' A' ' 32' ' ' LEU . 74.2 t90 -117.33 139.91 50.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.01 160.25 21.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.522 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -95.39 158.63 34.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.671 0.748 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.522 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.7 Cg_endo -69.72 -24.16 30.18 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.337 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -18.82 62.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.9 m -103.14 -41.91 5.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.7 mt -66.84 -45.17 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.76 -17.04 64.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.66 -45.33 9.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -72.61 -31.49 65.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.6 t -64.87 -65.91 0.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -78.31 132.72 37.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.26 154.48 29.74 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 160.37 49.96 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 78.59 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.663 2.242 . . . . 0.0 112.361 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -179.3 34.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -164.19 82.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -66.57 -45.18 80.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 111.32 172.17 19.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.72 -31.91 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.34 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -100.12 112.14 24.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.01 -51.63 7.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 63.76 166.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.72 -67.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.5 93.92 9.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.82 99.31 5.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -101.78 134.28 45.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.0 m -152.86 -55.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -166.61 49.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.35 157.31 29.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -162.82 158.78 31.1 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.443 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 129.49 17.68 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.258 . . . . 0.0 112.363 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.64 167.86 20.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 p -135.46 147.69 49.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.493 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m -110.73 174.04 6.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.9 0.381 . . . . 0.0 110.845 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -167.82 145.3 4.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.58 93.4 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.7 p -142.95 -178.82 6.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.85 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.38 145.65 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.21 171.76 22.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.24 174.03 7.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.34 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.63 106.94 13.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 p -112.65 126.88 55.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.96 125.52 50.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -171.14 170.13 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -156.34 137.34 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.8 mp -102.77 112.26 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -113.69 58.57 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.821 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -168.73 175.95 5.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -119.67 112.74 19.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.6 mm -116.6 129.02 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.18 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.4 t -52.38 154.11 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -107.87 22.39 16.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.5 t -131.77 -42.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.54 -16.95 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m 63.89 63.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -124.36 177.17 6.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.88 -39.44 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -59.26 -22.37 61.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -84.35 -0.14 51.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.466 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.9 p-10 -50.12 -28.01 6.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -28.42 14.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -123.9 31.96 5.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.45 143.44 27.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.59 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.5 mp -104.95 152.66 22.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -115.96 129.74 56.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.0 t -84.79 139.17 32.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -91.39 45.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.13 -39.13 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.3 p -125.14 -2.85 7.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.0 t0 51.7 56.25 8.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -102.33 -179.58 4.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.501 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -124.23 122.31 37.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.55 ' HB3' HD21 ' A' ' 46' ' ' LEU . 78.3 m-85 -138.33 134.3 34.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -79.94 175.74 10.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.721 HD13 ' HA ' ' A' ' 52' ' ' GLU . 13.4 pt -93.22 -7.35 10.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -120.93 16.83 11.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.0 m -113.31 -23.76 9.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.55 HD21 ' HB3' ' A' ' 41' ' ' TYR . 10.2 mt -72.17 -169.46 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.06 105.55 0.44 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.718 . . . . 0.0 110.918 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.8 Cg_endo -69.75 148.25 86.31 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.355 -0.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -177.96 2.11 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.312 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.3 mt -124.05 159.37 56.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -43.55 2.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.721 ' HA ' HD13 ' A' ' 43' ' ' ILE . 14.9 pt-20 -171.45 179.91 2.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.474 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.1 mm -51.56 131.42 35.69 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.59 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.1 Cg_endo -69.8 173.1 11.5 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -96.13 -74.92 0.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.36 -145.17 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 91.1 mt -80.86 131.13 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.813 0.34 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.437 ' CD2' HD23 ' A' ' 32' ' ' LEU . 75.4 t90 -117.84 140.3 49.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.74 160.28 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.525 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.4 p -95.99 158.67 33.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.3 Cg_endo -69.74 -24.0 30.27 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.256 . . . . 0.0 112.363 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -19.21 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.8 m -102.72 -42.06 6.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.8 mt -66.56 -45.41 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.1 mt -66.01 -17.26 64.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.16 -47.35 8.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -70.45 -36.74 74.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 39.5 t -60.4 -70.08 0.19 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -58.43 104.61 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.29 161.77 0.12 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.583 0.706 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 159.66 52.61 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 76.32 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.338 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.52 25.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.82 24.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.56 157.18 44.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -173.75 38.57 0.13 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 61.11 174.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -56.95 105.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -135.92 140.56 44.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.58 102.03 7.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.2 t -98.67 -25.99 14.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -30.2 58.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.37 154.43 45.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -138.96 151.69 47.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.6 p -164.37 121.11 1.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 pp -69.89 -28.82 65.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 t -80.9 172.0 14.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.42 -177.06 22.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.514 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -47.66 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.735 2.29 . . . . 0.0 112.319 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m 58.89 43.52 17.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.99 -37.82 16.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.89 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.449 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 m -81.65 -62.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.878 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 p -107.62 67.3 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.23 41.73 0.79 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 t -171.02 -60.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.92 0.391 . . . . 0.0 110.877 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 m 59.58 73.66 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.813 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.07 -140.99 0.45 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.64 155.61 39.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.755 0.312 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.2 p -152.07 79.69 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.97 137.43 32.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -163.97 45.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -72.78 128.98 37.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -149.37 138.19 21.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.656 HG22 ' H ' ' A' ' 16' ' ' SER . 53.1 mt -99.88 147.75 7.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.12 28.36 3.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.656 ' H ' HG22 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -128.95 -171.54 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.8 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -118.14 111.27 18.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.6 mm -114.27 131.76 65.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.1 t -55.23 153.87 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -107.34 22.61 15.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.6 t -132.2 -42.66 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -115.45 -16.62 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m 63.81 63.31 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -124.97 174.57 7.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.71 -38.08 0.18 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.432 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -59.4 -22.24 61.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.815 0.341 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -85.47 -0.34 54.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.474 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.0 p-10 -50.38 -27.8 6.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.2 -29.02 12.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -124.16 32.55 5.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.3 mt -86.0 144.05 27.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.599 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.1 mp -104.79 150.72 24.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -115.37 130.5 56.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.9 t -85.23 140.4 30.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -91.44 45.7 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.72 -43.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.0 p -117.94 -14.19 10.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.9 t0 63.55 48.77 3.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -96.48 -179.2 4.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.512 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.2 m120 -124.92 122.32 37.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.536 ' HB3' HD21 ' A' ' 46' ' ' LEU . 90.6 m-85 -137.0 135.86 37.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -81.24 171.95 14.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.733 HD13 ' HA ' ' A' ' 52' ' ' GLU . 11.5 pt -90.65 -4.27 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -123.63 14.63 9.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.2 m -111.32 -24.01 10.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 41' ' ' TYR . 10.1 mt -71.57 -169.42 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.0 105.45 0.44 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.654 0.74 . . . . 0.0 110.968 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.4 Cg_endo -69.83 148.28 86.56 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.326 -0.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -179.19 2.72 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.354 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.426 HD11 ' HE1' ' A' ' 58' ' ' TRP . 39.1 mt -121.97 158.39 55.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.631 0.729 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -44.05 2.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.733 ' HA ' HD13 ' A' ' 43' ' ' ILE . 2.1 pt-20 -170.26 177.93 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.545 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.4 mm -51.52 131.38 35.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.584 0.707 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.599 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.2 Cg_endo -69.75 171.77 13.86 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.665 2.244 . . . . 0.0 112.327 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -96.21 -72.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.25 -143.49 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.493 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.3 mt -84.04 131.21 34.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.454 ' CD2' HD23 ' A' ' 32' ' ' LEU . 75.8 t90 -117.98 140.96 48.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.78 160.31 22.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.529 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 11.9 p -96.58 158.9 32.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.529 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.6 Cg_endo -69.71 -23.65 30.8 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.676 2.25 . . . . 0.0 112.333 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -70.53 -19.59 62.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 33.3 m -102.89 -41.43 6.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.1 mt -66.68 -45.24 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 53.3 mt -65.43 -17.11 64.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.63 -34.0 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -81.52 -28.95 33.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.92 -35.24 58.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -56.55 129.67 41.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -65.31 154.87 86.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.588 0.708 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 161.4 46.06 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.697 2.264 . . . . 0.0 112.362 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 78.74 0.98 Allowed 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.722 2.282 . . . . 0.0 112.323 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.2 37.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -122.21 175.4 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -160.64 -178.71 7.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.19 -159.38 21.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -88.34 -32.31 18.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 63.03 40.7 8.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -120.94 48.62 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.12 109.83 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.0 -33.73 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -57.65 -33.53 68.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -131.12 111.72 12.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -67.51 140.76 57.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.16 115.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 tp -167.29 81.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.2 p -170.12 137.59 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 146.33 158.02 7.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.474 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -44.39 2.11 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.648 2.232 . . . . 0.0 112.376 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.16 -55.47 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.1 t 56.31 42.35 27.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.466 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.28 167.09 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.841 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.71 -46.1 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.41 117.2 0.81 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 t -69.8 148.23 49.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -107.03 138.84 42.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.821 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.14 -179.29 42.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -94.56 102.96 14.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 t -172.18 117.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.0 p -124.57 133.81 53.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.807 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -122.67 30.4 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.083 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -120.89 167.73 12.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -116.12 122.94 46.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.9 mm -95.12 150.62 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.53 64.36 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 t 58.76 -178.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -124.06 114.25 19.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.3 mm -116.97 129.2 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.9 t -52.16 154.41 2.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -108.15 22.07 16.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.2 t -131.38 -42.59 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.28 -17.09 11.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.88 63.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -123.8 179.99 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.4 -40.41 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -22.55 61.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.738 0.304 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -83.61 -0.14 49.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.44 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.8 p-10 -49.94 -27.95 6.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -51.5 -28.54 13.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -123.91 32.12 5.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.62 140.28 30.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.548 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -101.5 155.69 17.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -118.91 128.8 54.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.7 t -83.14 139.24 33.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -91.37 45.6 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.37 -38.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.0 p -125.26 -2.65 7.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t0 51.53 56.82 7.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -102.45 -179.72 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.507 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -123.43 122.38 38.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.517 ' HB3' HD21 ' A' ' 46' ' ' LEU . 83.2 m-85 -139.28 132.8 30.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -78.21 -179.35 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.819 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.635 HD13 ' HA ' ' A' ' 52' ' ' GLU . 41.4 pt -95.71 -16.24 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -111.07 14.58 21.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.2 m -111.58 -23.91 10.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.517 HD21 ' HB3' ' A' ' 41' ' ' TYR . 12.0 mt -70.15 -169.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.438 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.3 105.57 0.43 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.552 0.691 . . . . 0.0 110.936 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 54.0 Cg_endo -69.72 148.31 86.38 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.339 -0.104 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 169.53 18.81 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.656 2.237 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.0 mt -112.93 159.48 34.38 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -40.03 5.7 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.292 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.635 ' HA ' HD13 ' A' ' 43' ' ' ILE . 12.0 pt-20 -173.38 -179.24 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.406 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.5 mm -51.48 131.47 34.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.664 0.745 . . . . 0.0 111.133 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.548 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.79 172.18 13.13 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.239 . . . . 0.0 112.368 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.1 mtt85 -95.45 -74.78 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.54 -146.29 0.11 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.2 mt -79.83 130.59 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 111.132 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.424 ' CG ' HD23 ' A' ' 32' ' ' LEU . 74.4 t90 -117.31 139.75 50.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.96 160.21 21.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.525 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.3 158.73 34.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.711 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.7 Cg_endo -69.74 -24.27 29.95 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.691 2.26 . . . . 0.0 112.389 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -18.77 62.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.9 m -103.15 -41.95 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.7 mt -66.79 -45.28 88.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.68 -17.12 64.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.07 -44.97 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -73.33 -33.79 65.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.1 t -52.15 141.69 18.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.79 95.25 7.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -70.34 158.19 88.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.589 0.709 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 159.81 52.05 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.706 2.27 . . . . 0.0 112.314 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 76.65 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.258 . . . . 0.0 112.353 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -161.32 25.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -146.36 126.48 13.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -110.39 83.45 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -150.43 -118.5 0.87 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.532 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 57.89 66.59 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -106.01 60.36 0.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -124.33 106.56 10.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.97 103.89 15.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.81 104.73 4.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.24 171.79 8.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -93.63 168.89 10.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -157.49 104.07 1.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 m -58.72 117.46 4.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.834 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 58.92 178.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -73.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.04 -176.1 22.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -30.84 21.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.266 . . . . 0.0 112.31 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.4 t -135.69 158.73 43.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.0 t -62.12 109.88 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.453 -179.947 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -93.88 142.68 27.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.888 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 p -52.95 -62.56 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.64 -152.83 16.92 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.09 177.8 8.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.84 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.1 -71.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.77 174.03 20.05 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.452 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -118.73 162.25 18.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.795 0.331 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 p -133.33 135.52 44.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 m -97.98 112.83 24.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -144.13 33.03 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -131.54 128.56 39.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -157.46 136.94 12.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 mp -82.59 126.38 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -120.93 63.1 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.61 169.3 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -112.18 111.13 21.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.969 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.639 HG22 ' HA ' ' A' ' 23' ' ' SER . 24.9 mm -110.6 135.18 50.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.1 t -51.97 149.62 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -101.31 20.71 15.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.0 t -131.56 -42.12 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.6 p -116.35 -16.86 10.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.639 ' HA ' HG22 ' A' ' 18' ' ' ILE . 11.9 t 63.65 63.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -125.64 167.25 15.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -128.55 -35.56 0.49 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -22.27 61.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -88.5 -0.25 57.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.478 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.3 p-10 -50.28 -27.58 6.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.31 -28.98 13.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -124.16 32.28 5.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.1 mt -85.27 143.25 28.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.604 HD21 ' HD3' ' A' ' 54' ' ' PRO . 7.8 mp -104.0 149.78 24.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -114.08 131.75 56.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.2 t -87.36 138.54 31.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -91.31 45.9 1.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.9 -39.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 p -125.76 -2.06 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t0 51.64 55.94 8.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -101.23 -179.66 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.512 ' HB3' HD22 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -126.39 122.29 34.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -138.52 136.71 36.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 44.2 m170 -82.09 171.91 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.744 HD13 ' HA ' ' A' ' 52' ' ' GLU . 10.3 pt -90.29 -0.0 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -128.15 14.58 6.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.0 m -111.38 -24.72 10.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.8 mt -70.92 -169.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.8 105.5 0.45 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.598 0.713 . . . . 0.0 110.96 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 54.3 Cg_endo -69.74 148.35 86.49 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.314 -0.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 179.16 3.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.674 2.25 . . . . 0.0 112.334 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.47 HD11 ' HE1' ' A' ' 58' ' ' TRP . 43.0 mt -119.44 158.01 50.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -44.45 2.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.744 ' HA ' HD13 ' A' ' 43' ' ' ILE . 13.5 pt-20 -169.44 176.65 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.558 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.7 mm -51.64 131.49 36.46 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.666 0.746 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.604 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.4 Cg_endo -69.77 172.37 12.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.306 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -95.91 -74.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.98 -146.09 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.513 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.0 mt -80.12 130.63 35.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 111.121 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.47 ' HE1' HD11 ' A' ' 50' ' ' LEU . 74.1 t90 -117.29 139.76 50.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.84 160.25 21.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.527 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.0 p -96.25 158.87 33.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.616 0.722 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.527 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.0 Cg_endo -69.75 -23.75 30.47 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.358 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -70.4 -19.64 62.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 30.9 m -102.81 -41.61 6.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.4 mt -66.76 -45.02 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.9 mt -66.63 -17.24 64.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.79 -48.48 7.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -26.52 63.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 m -64.14 -55.16 23.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -117.2 110.04 17.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -122.85 159.13 54.93 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.603 0.716 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 167.47 24.34 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 2.262 . . . . 0.0 112.324 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 80.68 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.671 2.248 . . . . 0.0 112.336 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -177.76 37.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.3 111.04 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -164.02 130.01 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.0 117.99 1.36 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.32 117.48 27.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.888 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.78 102.96 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -92.1 55.04 2.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -129.98 29.95 4.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.083 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.97 -59.28 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -106.67 137.52 44.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.6 143.19 50.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -122.06 33.43 5.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.944 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.5 t 58.71 87.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 mt -78.35 -37.32 44.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 p -67.44 101.04 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.821 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -145.17 66.84 0.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 95.83 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.704 2.27 . . . . 0.0 112.352 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.0 m 56.9 40.42 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -35.64 60.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.441 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -119.64 145.11 46.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.906 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.33 99.81 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.22 98.77 0.11 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.455 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 p -66.76 179.15 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -136.58 134.23 37.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.72 59.5 0.36 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -112.67 128.63 56.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.337 . . . . 0.0 110.833 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.9 p -165.27 106.59 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -130.55 160.87 32.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.9 136.31 53.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -138.66 126.18 21.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -160.46 58.46 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.2 mt -89.73 125.36 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -156.76 63.0 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.5 159.38 41.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -131.94 111.26 11.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.948 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.511 HG22 ' HA ' ' A' ' 23' ' ' SER . 23.1 mm -113.51 131.77 64.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.8 t -51.86 150.52 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -103.04 21.64 15.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.1 t -131.84 -42.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.4 p -116.54 -12.04 11.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.511 ' HA ' HG22 ' A' ' 18' ' ' ILE . 28.4 t 58.71 63.78 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -125.65 168.96 13.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.79 -36.05 0.37 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -22.19 61.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -87.32 -0.3 56.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.473 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.3 p-10 -50.34 -27.52 6.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -51.37 -28.92 13.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -124.2 32.44 5.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.502 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.2 mt -85.53 143.66 28.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.6 HD21 ' HD3' ' A' ' 54' ' ' PRO . 7.8 mp -104.26 150.06 24.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -114.03 131.78 56.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.2 t -87.15 138.34 31.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -91.09 46.25 1.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.28 -39.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.3 p -126.04 -1.8 7.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t0 51.49 56.31 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -101.6 -179.78 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.829 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.502 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.1 m120 -125.89 122.33 35.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.473 ' HB3' HD21 ' A' ' 46' ' ' LEU . 86.0 m-85 -138.44 136.28 36.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -81.49 172.79 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.746 HD13 ' HA ' ' A' ' 52' ' ' GLU . 9.7 pt -91.9 -0.49 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -127.42 13.79 7.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.5 m -111.13 -24.28 10.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.473 HD21 ' HB3' ' A' ' 41' ' ' TYR . 8.7 mt -70.87 -169.42 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.423 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.88 105.53 0.45 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.622 0.725 . . . . 0.0 110.938 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.5 Cg_endo -69.78 148.33 86.53 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.303 -0.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 178.7 4.32 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.369 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.472 HD11 ' HE1' ' A' ' 58' ' ' TRP . 47.0 mt -119.25 157.98 49.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.608 0.718 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -44.84 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.746 ' HA ' HD13 ' A' ' 43' ' ' ILE . 13.0 pt-20 -169.38 176.63 5.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.558 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.5 mm -51.52 131.42 35.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 111.122 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.6 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.78 172.32 12.87 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.0 mtt85 -96.26 -73.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.14 -144.03 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.9 mt -83.06 131.07 34.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.127 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.472 ' HE1' HD11 ' A' ' 50' ' ' LEU . 75.3 t90 -117.49 140.16 49.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.4 160.31 21.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.528 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.7 p -96.26 158.84 33.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.528 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.6 Cg_endo -69.79 -23.85 30.2 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -19.51 62.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 23.1 m -102.55 -41.99 6.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mt -66.41 -45.47 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.6 mt -65.64 -16.93 64.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.27 -45.73 9.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.086 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -73.59 -32.39 64.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.3 t -52.56 139.12 26.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 mttp 53.95 71.0 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.0 154.75 40.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.46 18.84 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.256 . . . . 0.0 112.308 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 79.25 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -174.88 38.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.17 103.94 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.15 169.95 10.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -153.88 78.64 0.2 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.477 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -134.61 59.45 1.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.848 0.356 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -141.1 177.35 8.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.12 107.72 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.42 88.82 7.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.6 m -75.01 100.28 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -138.28 172.16 13.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -156.93 121.25 4.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -131.66 36.88 3.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.7 m -113.58 103.9 11.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.824 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.0 tp -151.66 53.79 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.4 t -122.4 175.52 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.14 72.53 0.48 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 132.39 23.21 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.332 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.49 -179.47 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.44 162.61 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.509 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t 54.02 79.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 110.836 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -139.28 -61.2 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.35 109.03 0.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.56 138.73 31.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.905 0.383 . . . . 0.0 110.811 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -121.43 75.97 1.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.59 83.5 0.12 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -106.02 102.71 12.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.348 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 t -163.42 120.89 1.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.64 135.4 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -134.04 157.89 44.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -154.9 124.82 6.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -79.05 100.84 7.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.7 mt -70.24 104.35 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -146.76 47.44 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.08 170.83 18.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -121.36 113.01 19.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.3 mm -116.87 131.75 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.1 t -54.33 152.64 6.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -107.3 24.48 12.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.8 t -133.64 -41.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.0 p -116.09 -16.84 11.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m 63.95 63.24 0.83 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.7 mmt-85 -123.31 179.99 4.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.01 -40.26 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.539 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.31 -22.14 60.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -84.92 0.01 52.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.453 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.8 p-10 -49.91 -27.42 5.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -51.36 -28.6 12.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -123.64 32.44 5.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.9 mt -88.13 133.79 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.54 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -93.97 156.59 16.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -119.5 129.31 54.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.2 t -84.24 139.2 32.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -91.44 45.62 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.19 -39.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 p -125.46 -2.34 7.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.5 t0 51.59 55.84 8.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -100.7 -179.91 4.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.538 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.3 m120 -125.13 122.22 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.513 ' HB3' HD21 ' A' ' 46' ' ' LEU . 87.4 m-85 -138.02 134.8 35.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -79.85 -179.61 7.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.828 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.663 HD13 ' HA ' ' A' ' 52' ' ' GLU . 30.7 pt -97.28 -11.68 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -116.06 17.02 15.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 33.2 m -114.19 -25.32 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.513 HD21 ' HB3' ' A' ' 41' ' ' TYR . 14.0 mt -68.2 -169.5 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.43 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.66 105.47 0.46 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.59 0.71 . . . . 0.0 110.942 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.9 Cg_endo -69.76 148.23 86.31 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.313 -0.062 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 160.61 49.08 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.377 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.8 mt -102.4 159.61 28.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.699 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -41.11 4.62 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.663 ' HA ' HD13 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -174.8 -179.09 1.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.8 mm -50.79 131.27 28.68 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.64 0.733 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.54 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.4 Cg_endo -69.75 176.56 6.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -98.05 -74.89 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.83 -148.64 0.5 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 83.6 mt -74.9 129.86 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.426 ' CD2' HD23 ' A' ' 32' ' ' LEU . 76.2 t90 -117.24 139.41 50.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -117.15 160.34 21.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.524 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.0 p -95.53 158.74 34.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.729 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.524 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.2 Cg_endo -69.76 -24.18 29.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.686 2.258 . . . . 0.0 112.345 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -70.64 -18.78 62.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.9 m -103.1 -41.97 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.1 mt -66.75 -45.3 88.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.93 -17.1 64.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.66 -47.65 7.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -28.26 62.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -54.36 163.94 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -99.01 76.49 2.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -148.54 156.46 42.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.586 0.708 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 159.89 51.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.722 2.282 . . . . 0.0 112.299 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 78.72 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.644 2.229 . . . . 0.0 112.365 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -179.01 34.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.46 60.57 3.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -137.39 152.01 49.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -107.28 -170.53 22.17 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 62.93 171.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 59.91 96.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -58.17 -44.85 88.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -102.48 174.78 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.72 -49.28 2.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 54.28 59.65 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.91 165.49 14.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -155.27 -43.22 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 m 53.01 73.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.5 tp -121.02 149.37 42.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.21 112.23 24.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.75 -165.08 32.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 159.72 52.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.381 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 p -170.15 160.58 8.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.4 t -108.68 -53.78 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.485 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.08 138.49 54.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.859 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 p -117.7 154.69 31.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.35 146.79 13.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.92 147.34 52.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.79 127.5 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.35 -122.68 1.27 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.505 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -104.91 82.04 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -97.2 153.15 18.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.2 t 58.8 81.12 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.08 111.16 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -145.73 -173.45 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -146.34 126.28 13.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.6 mp -104.27 150.47 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.55 73.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.3 157.13 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -124.38 111.21 15.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.5 mm -115.67 132.51 64.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.0 t -55.86 152.95 9.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -106.69 23.7 13.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.6 t -133.68 -42.29 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.6 p -115.32 -17.23 11.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.4 m 63.79 63.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -122.85 179.81 4.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.35 -39.67 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -22.14 61.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.756 0.312 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -85.32 0.02 53.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.468 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.9 p-10 -49.96 -27.68 5.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -28.8 12.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -123.7 32.99 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 40' ' ' ASN . 4.0 mt -88.59 135.23 33.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.545 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -96.32 157.24 15.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -119.57 128.82 54.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.0 t -83.94 138.51 33.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -91.16 46.05 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.56 -39.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.14 -2.79 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t70 51.63 57.29 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -103.27 -179.81 4.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.816 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.535 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.5 m120 -124.86 122.24 36.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -137.11 135.94 37.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -80.98 177.25 9.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.75 HD13 ' HA ' ' A' ' 52' ' ' GLU . 13.2 pt -95.67 -2.7 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -126.1 17.62 7.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.3 m -114.54 -24.99 8.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mt -70.12 -169.45 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.444 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.98 105.57 0.44 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 0.0 110.904 179.873 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.444 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.2 Cg_endo -69.84 148.31 86.65 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.318 -0.068 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 176.49 6.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.433 HD11 ' HE1' ' A' ' 58' ' ' TRP . 26.9 mt -118.42 159.34 44.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.928 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -42.19 3.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.311 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.75 ' HA ' HD13 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -174.33 -178.73 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.7 mm -51.01 131.17 30.33 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.625 0.726 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.545 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.76 177.32 5.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -98.35 -74.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.84 -146.54 0.38 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.6 mt -76.96 130.94 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.433 ' HE1' HD11 ' A' ' 50' ' ' LEU . 79.0 t90 -117.83 140.19 50.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.28 160.4 21.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.526 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.3 p -95.83 158.74 33.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.864 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.7 Cg_endo -69.78 -24.11 29.98 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.377 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.62 -18.89 62.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.0 m -103.05 -41.99 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.2 mt -66.72 -45.4 88.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.08 -17.44 64.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.92 -44.08 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -27.87 61.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.7 t -57.15 102.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.2 mttt 59.59 176.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -176.79 154.7 1.23 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.632 0.73 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 163.21 39.1 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 78.79 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.44 35.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.35 103.96 6.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -106.46 107.72 18.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -178.77 94.33 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.513 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -103.07 97.18 7.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.92 90.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 58.77 -175.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -141.95 -171.42 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.45 165.3 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.168 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -130.6 153.1 49.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.84 -26.01 61.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 57.01 62.7 2.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.9 p -85.46 126.43 33.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.6 mt -98.53 162.28 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.0 t -146.58 99.14 3.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -154.71 73.12 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 166.13 28.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.9 m -58.3 -46.82 85.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 m -117.55 165.32 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.512 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -88.47 131.38 34.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.373 . . . . 0.0 110.858 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -160.64 172.0 17.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.17 148.99 6.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.448 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 p -149.27 154.54 39.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.37 . . . . 0.0 110.834 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.79 164.08 9.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.07 153.67 24.3 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -144.07 142.88 30.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.819 0.342 . . . . 0.0 110.815 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.66 168.17 10.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.6 t 62.63 179.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -175.13 177.36 1.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -117.66 162.46 18.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -153.9 145.01 22.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.8 mm -87.23 136.09 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -164.36 46.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.4 m -137.72 174.79 10.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -121.71 112.26 18.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.7 mm -115.34 130.67 69.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.158 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.8 t -53.86 154.05 4.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -107.76 22.42 15.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.2 t -132.06 -42.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -115.6 -17.21 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 m 63.84 63.58 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -123.3 179.91 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.5 -39.82 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.448 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.45 -22.06 60.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.726 0.298 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -85.51 -0.06 53.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.457 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.9 p-10 -49.76 -27.7 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.39 -28.62 13.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -123.64 32.57 5.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 40' ' ' ASN . 4.0 mt -88.1 133.75 33.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.546 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -93.79 156.32 16.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -119.11 129.62 55.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.3 t -84.54 138.82 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -91.27 45.78 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.3 -38.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.507 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 p -126.22 -1.39 7.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.78 56.49 7.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.81 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -101.2 -179.9 4.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.537 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.3 m120 -125.08 122.28 36.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.521 ' HB3' HD21 ' A' ' 46' ' ' LEU . 86.3 m-85 -138.11 134.95 35.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.2 m170 -80.45 177.97 8.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.876 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.609 HD13 ' HA ' ' A' ' 52' ' ' GLU . 40.6 pt -93.97 -13.82 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -114.41 16.89 17.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.2 m -113.56 -25.38 8.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 41' ' ' TYR . 14.3 mt -68.4 -169.47 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.5 105.43 0.47 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.619 0.723 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.8 Cg_endo -69.74 148.26 86.29 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.315 -0.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 160.26 50.34 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.325 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.4 mt -101.99 159.54 29.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.634 0.731 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -40.19 5.62 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.609 ' HA ' HD13 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -175.09 -179.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.7 mm -51.06 131.27 30.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.546 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.7 175.99 7.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.379 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -97.6 -74.87 0.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.51 -148.23 0.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.1 mt -75.47 130.11 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.424 ' CD2' HD23 ' A' ' 32' ' ' LEU . 76.2 t90 -117.36 139.37 50.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -117.13 160.31 21.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.526 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.3 p -95.44 158.76 34.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.655 0.741 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.3 Cg_endo -69.75 -24.16 30.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.61 -18.86 62.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.7 m -103.05 -42.04 5.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.811 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.3 mt -66.7 -45.41 88.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.69 -17.16 64.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.25 -47.7 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -27.93 62.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.2 t -65.76 130.16 42.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm 52.33 85.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -53.16 154.1 5.9 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.538 0.685 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 164.28 35.12 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.643 2.229 . . . . 0.0 112.388 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 80.07 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.31 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.87 35.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -149.2 125.98 11.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.06 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 55.91 65.99 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.4 -127.39 6.02 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -111.54 158.6 18.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.348 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -93.56 44.18 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.51 145.35 48.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -158.55 107.22 1.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.82 106.05 8.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.36 99.12 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -111.19 67.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -140.41 -55.87 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.412 ' C ' HD23 ' A' ' 86' ' ' LEU . 4.9 p 56.06 -170.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.85 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.412 HD23 ' C ' ' A' ' 85' ' ' SER . 0.4 OUTLIER -164.23 140.76 6.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.55 140.35 35.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -109.36 159.08 14.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.456 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -22.75 31.91 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.26 . . . . 0.0 112.324 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.18 137.23 1.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.7 m -94.0 -73.17 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.499 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -150.85 126.01 9.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.869 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 t -121.24 154.63 36.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.51 -170.45 34.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.504 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -109.34 100.25 9.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 110.846 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -79.86 -65.22 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.6 131.15 2.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -90.9 175.84 6.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.5 -171.95 1.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.8 p -152.96 176.6 11.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.86 138.15 45.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.086 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -155.19 167.46 30.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -136.05 120.29 17.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.8 mt -83.57 116.64 27.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -145.39 35.73 1.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.0 m -89.42 169.62 11.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -117.29 111.98 20.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.2 mm -114.26 132.79 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.4 t -56.03 153.86 8.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -107.18 22.75 15.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.4 t -132.62 -42.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -114.95 -16.81 11.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m 63.78 63.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.0 mmt-85 -125.07 174.62 7.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.72 -37.87 0.18 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -22.32 61.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.791 0.329 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -85.26 -0.44 54.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.474 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.1 p-10 -50.43 -27.89 7.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.3 -29.06 13.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -124.25 32.84 5.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.504 HD13 ' HB3' ' A' ' 40' ' ' ASN . 3.3 mt -86.27 144.05 27.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.955 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.595 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.0 mp -104.52 150.33 24.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -115.25 130.26 56.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.5 t -85.2 140.24 31.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -91.32 45.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.83 -43.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.47 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.9 p -117.98 -13.99 10.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 t70 63.63 48.5 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -95.69 -179.12 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.504 ' HB3' HD13 ' A' ' 31' ' ' LEU . 1.2 m120 -125.53 122.28 36.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -137.23 135.72 37.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -81.37 171.93 14.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.749 HD13 ' HA ' ' A' ' 52' ' ' GLU . 10.1 pt -90.96 -0.15 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -127.99 15.76 6.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.2 m -112.67 -24.61 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.07 -169.5 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.452 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.6 105.5 0.46 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.618 0.723 . . . . 0.0 110.952 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.4 Cg_endo -69.78 148.32 86.52 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.337 -0.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -179.75 3.14 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.47 HD11 ' HE1' ' A' ' 58' ' ' TRP . 46.6 mt -120.62 157.66 53.66 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.613 0.72 . . . . 0.0 110.922 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -44.48 2.06 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.749 ' HA ' HD13 ' A' ' 43' ' ' ILE . 10.2 pt-20 -169.45 176.77 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.553 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.4 mm -51.53 131.43 35.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 0.0 111.164 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.595 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.79 171.61 14.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.25 -72.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.17 -143.88 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.0 mt -83.62 130.81 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.47 ' HE1' HD11 ' A' ' 50' ' ' LEU . 75.6 t90 -117.6 140.83 49.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.63 160.31 22.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.531 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -96.4 158.87 33.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.531 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.2 Cg_endo -69.73 -23.86 30.48 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -70.73 -19.24 62.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 23.3 m -102.91 -41.59 6.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.8 mt -66.92 -45.21 87.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.95 -16.96 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.77 -37.8 11.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -76.67 -32.99 58.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.4 t -53.32 145.18 14.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mttt 60.16 176.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -139.64 158.6 67.82 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.615 0.721 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 165.35 31.23 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 75.19 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.67 2.247 . . . . 0.0 112.347 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.92 85.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -178.29 101.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -99.85 116.87 32.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -149.26 -64.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 54.05 88.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -130.54 40.12 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -101.48 -51.58 3.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.21 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.56 172.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 58.68 38.03 25.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -119.19 106.46 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -143.23 97.21 3.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m 60.83 39.27 17.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 58.13 66.7 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.3 t -137.43 111.77 8.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.51 -161.76 27.96 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 90.37 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.737 2.291 . . . . 0.0 112.305 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -33.05 71.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.807 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.52 122.09 34.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.508 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -95.3 82.04 3.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.87 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 t -101.25 92.38 4.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.77 -176.01 30.89 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.465 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.4 151.4 35.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.893 0.378 . . . . 0.0 110.83 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 m -158.42 107.06 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.67 69.69 0.3 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -105.46 132.44 51.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.33 143.94 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.45 -30.23 20.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.822 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 53.08 62.62 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -118.52 -176.68 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.27 42.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.2 mm -87.62 128.36 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -160.01 63.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 p -88.49 179.02 6.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -122.0 111.26 16.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.523 HG22 ' HA ' ' A' ' 23' ' ' SER . 24.9 mm -116.31 132.52 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.2 t -51.94 151.1 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -103.67 23.07 13.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.5 t -134.22 -41.47 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.4 p -116.8 -12.95 10.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.523 ' HA ' HG22 ' A' ' 18' ' ' ILE . 28.1 t 58.65 64.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.7 mmt-85 -125.64 168.81 13.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.36 -37.24 0.34 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -59.56 -21.97 61.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.763 0.316 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -86.84 -0.1 55.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.475 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.1 p-10 -50.15 -27.21 5.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -51.49 -28.45 13.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -123.82 31.86 5.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.53 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.63 138.36 31.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.548 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.7 mp -98.91 156.67 16.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -119.78 128.86 54.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.1 t -82.98 139.02 33.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -91.19 45.87 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.76 -39.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -125.43 -2.51 7.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 45.5 t0 51.69 56.68 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -101.41 -179.76 4.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.53 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -124.43 122.22 37.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.443 ' HB3' HD21 ' A' ' 46' ' ' LEU . 82.9 m-85 -138.99 134.23 32.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -78.93 -175.23 4.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.774 HD13 ' HA ' ' A' ' 52' ' ' GLU . 7.5 pt -103.84 -7.11 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -119.05 13.05 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.7 m -110.68 -23.88 10.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.443 HD21 ' HB3' ' A' ' 41' ' ' TYR . 11.7 mt -69.95 -169.38 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.32 105.6 0.43 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.911 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 54.0 Cg_endo -69.75 148.29 86.38 Favored 'Cis proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.357 -0.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 170.2 17.1 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.701 2.268 . . . . 0.0 112.358 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.6 mt -111.87 159.4 33.63 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.597 0.713 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -43.6 2.59 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.701 2.267 . . . . 0.0 112.312 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.774 ' HA ' HD13 ' A' ' 43' ' ' ILE . 1.4 pt-20 -171.92 -178.81 2.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.406 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.4 mm -51.51 131.36 35.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.637 0.732 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.548 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.75 172.61 12.31 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -95.48 -74.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.08 -146.84 0.14 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.2 mt -78.89 130.63 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.426 ' CG ' HD23 ' A' ' 32' ' ' LEU . 74.2 t90 -117.28 139.69 50.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.8 160.27 21.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.523 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -95.08 158.69 34.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.7 Cg_endo -69.73 -24.56 29.7 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -18.58 63.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 19.1 m -103.09 -41.93 5.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.2 mt -66.38 -45.1 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.95 -17.48 57.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.07 -44.42 7.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -75.54 -12.42 60.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.8 p -50.73 164.04 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -73.91 150.86 40.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -85.01 154.14 60.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.8 20.5 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.339 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 80.05 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -176.11 36.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -153.98 135.63 14.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -118.49 -65.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.59 164.0 21.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -74.32 117.94 16.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.38 35.76 2.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -71.25 -72.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 52.95 73.05 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.2 m -99.62 154.05 18.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -56.06 141.83 38.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -73.64 167.84 20.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -162.59 29.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.951 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -57.43 128.41 36.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 59.76 91.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.28 124.54 35.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 136.38 177.78 15.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 135.77 31.29 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.726 2.284 . . . . 0.0 112.313 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -94.48 170.66 9.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.8 t -139.12 -51.37 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.123 -0.82 . . . . 0.0 112.454 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 p -140.15 99.83 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.58 167.78 14.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.822 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.76 97.83 0.49 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.19 157.26 11.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.876 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -177.83 143.55 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.73 40.12 0.22 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.479 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -102.41 168.71 9.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 p -143.37 88.66 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.3 p -112.02 71.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -124.45 99.61 6.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -79.24 172.49 13.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -160.01 131.6 6.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.1 mm -69.26 130.36 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -95.7 42.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.18 179.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -117.1 111.23 19.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.653 HG22 ' HA ' ' A' ' 23' ' ' SER . 24.9 mm -112.61 135.5 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.1 t -51.88 151.54 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -102.94 21.63 15.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.2 t -133.75 -41.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.15 -17.68 10.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.653 ' HA ' HG22 ' A' ' 18' ' ' ILE . 12.4 t 63.6 63.92 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -126.31 166.06 17.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -127.21 -36.24 0.51 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -22.16 61.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -88.12 -0.03 56.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.477 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.2 p-10 -50.36 -27.03 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.5 -28.34 13.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -124.06 31.66 5.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.514 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.4 mt -85.8 142.32 29.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.544 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -103.14 155.92 18.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -119.63 128.2 53.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.4 t -82.3 139.11 34.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -91.21 45.74 1.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.82 -38.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 p -125.31 -2.56 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 t0 51.62 57.01 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -101.78 -179.72 4.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.514 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.1 m120 -124.54 122.27 37.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -139.11 135.31 33.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -80.35 -177.16 6.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.779 HD13 ' HA ' ' A' ' 52' ' ' GLU . 7.9 pt -101.7 -4.29 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.142 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -122.64 14.09 10.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.3 m -110.35 -23.3 11.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.2 mt -72.49 -169.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.2 105.49 0.44 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.612 0.72 . . . . 0.0 110.923 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.0 Cg_endo -69.81 148.27 86.49 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.32 -0.092 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 179.4 3.72 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.4 mt -119.88 159.14 47.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.595 0.712 . . . . 0.0 110.959 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -43.77 2.46 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.708 2.272 . . . . 0.0 112.36 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.779 ' HA ' HD13 ' A' ' 43' ' ' ILE . 1.2 pt-20 -172.01 -179.49 2.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.414 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.3 mm -51.46 131.47 34.64 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.666 0.746 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.544 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.75 171.65 14.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.264 . . . . 0.0 112.322 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.81 -74.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.71 -146.58 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.8 mt -79.33 130.97 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.428 ' CD2' HD23 ' A' ' 32' ' ' LEU . 74.2 t90 -117.63 139.93 50.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.21 160.27 21.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.523 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.29 158.71 34.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.5 Cg_endo -69.76 -24.35 29.78 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.326 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -18.81 62.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.1 m -103.03 -42.01 5.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mt -66.51 -45.27 89.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.9 mt -64.45 -16.82 63.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.3 -45.48 8.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -24.53 60.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -57.67 -179.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.35 74.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -111.21 154.52 43.56 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 170.49 16.4 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.697 2.265 . . . . 0.0 112.377 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 71.86 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 179.22 84.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -178.25 49.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -133.82 161.36 34.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.0 76.98 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -126.14 165.03 19.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -174.06 70.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -110.22 37.37 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 54.91 91.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.079 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.7 t -105.94 127.25 53.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -143.4 149.17 37.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.63 126.42 37.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.74 -54.63 8.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.81 113.1 1.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.58 -49.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 m -63.87 -31.5 72.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.5 171.69 18.64 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -40.16 5.55 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.3 t 61.71 60.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.6 t 54.47 32.58 17.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.488 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -129.19 113.33 14.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.6 mm -116.07 129.25 72.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.9 t -52.1 154.3 2.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -108.1 22.21 16.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.3 t -131.22 -42.89 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.25 -16.92 11.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m 63.84 63.44 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -123.77 -179.91 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.42 -40.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.434 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -22.51 61.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.781 0.324 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -83.74 -0.21 49.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.442 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.8 p-10 -49.95 -27.9 6.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.53 -28.61 14.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -123.86 32.03 5.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.46 139.56 30.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.543 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.7 mp -100.72 155.83 17.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -118.62 129.27 55.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 t -83.42 138.95 33.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -91.29 45.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.49 -39.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.454 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -125.43 -2.46 7.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 51.59 57.06 6.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -102.48 -179.72 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.509 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.3 m120 -123.53 122.27 37.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -139.33 132.78 30.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -78.09 179.71 6.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.632 HD13 ' HA ' ' A' ' 52' ' ' GLU . 42.2 pt -94.37 -16.97 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -110.23 13.96 22.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.8 m -111.08 -24.24 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.55 -169.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.42 105.65 0.43 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.719 . . . . 0.0 110.901 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.7 Cg_endo -69.77 148.37 86.6 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.341 -0.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 169.38 19.01 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.694 2.263 . . . . 0.0 112.355 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.3 mt -113.57 159.55 35.08 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.589 0.709 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -39.73 6.26 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.658 2.239 . . . . 0.0 112.375 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.632 ' HA ' HD13 ' A' ' 43' ' ' ILE . 8.3 pt-20 -173.22 -179.14 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.403 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.5 mm -51.47 131.45 34.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.599 0.714 . . . . 0.0 111.121 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.543 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.71 172.08 13.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -95.61 -74.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.02 -144.85 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.0 mt -81.77 130.96 34.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.428 ' CG ' HD23 ' A' ' 32' ' ' LEU . 74.8 t90 -117.48 139.84 50.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.05 160.26 21.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.525 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.35 158.71 34.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.663 0.744 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.7 Cg_endo -69.75 -24.31 29.87 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -18.86 62.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.5 m -103.09 -41.99 5.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.3 mt -66.52 -45.11 89.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.32 -16.75 63.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.22 -47.73 7.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -29.88 65.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.892 0.377 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -127.26 112.96 15.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.1 mm -116.43 129.14 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.8 t -52.2 154.45 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -108.15 22.13 16.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.3 t -131.39 -42.61 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.38 -17.0 11.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m 63.82 63.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.1 mmt-85 -123.63 179.95 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.34 -40.39 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -59.16 -22.57 61.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.766 0.317 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -83.68 -0.18 49.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.458 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.8 p-10 -49.94 -27.92 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -51.56 -28.56 14.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -123.81 32.18 5.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.7 mt -86.91 141.22 28.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.545 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -102.49 155.66 18.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -118.99 128.09 54.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.6 t -82.46 139.16 34.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -91.27 45.66 1.26 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.64 -38.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 p -124.97 -3.1 7.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.5 t70 51.77 57.16 6.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -103.03 -179.77 4.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.505 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -123.52 122.24 37.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.526 ' HB3' HD21 ' A' ' 46' ' ' LEU . 83.1 m-85 -138.92 133.82 32.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -79.2 179.46 7.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.665 HD13 ' HA ' ' A' ' 52' ' ' GLU . 32.9 pt -95.16 -14.18 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -113.24 14.53 19.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.9 m -111.32 -23.98 10.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 41' ' ' TYR . 12.6 mt -70.49 -169.44 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.439 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.47 105.61 0.42 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.61 0.719 . . . . 0.0 110.953 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.8 Cg_endo -69.79 148.28 86.45 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.319 -0.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 172.2 13.02 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.7 mt -115.34 159.78 36.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.717 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -41.17 4.58 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.709 2.273 . . . . 0.0 112.362 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.665 ' HA ' HD13 ' A' ' 43' ' ' ILE . 11.2 pt-20 -173.01 -179.13 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.404 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.4 mm -51.53 131.44 35.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.636 0.732 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.545 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.4 Cg_endo -69.83 171.89 13.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -95.04 -74.95 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.48 -145.56 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 88.6 mt -80.39 131.38 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.423 ' CG ' HD23 ' A' ' 32' ' ' LEU . 75.4 t90 -118.05 140.21 50.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.61 160.28 22.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.525 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -95.56 158.76 33.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.649 0.738 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.4 Cg_endo -69.81 -24.16 29.74 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.319 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -70.58 -18.93 62.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.9 m -102.97 -41.92 5.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.7 mt -66.68 -45.35 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.6 mt -65.47 -16.99 64.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.71 -48.19 6.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -27.83 65.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.8 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.908 0.385 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -131.15 112.9 13.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.6 mm -116.35 129.02 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 t -51.98 154.2 2.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -108.01 22.21 16.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -131.38 -42.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.3 -17.02 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 m 63.88 63.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.8 mmt85 -123.72 -179.95 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.46 -40.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.24 -22.54 61.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -83.61 -0.12 49.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.446 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.7 p-10 -49.97 -27.95 6.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -28.66 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -123.81 32.25 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.66 140.3 29.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.544 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.7 mp -101.48 155.73 17.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -118.76 128.84 54.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 t -82.78 139.18 33.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -91.33 45.69 1.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.7 -39.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.478 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.23 -2.78 7.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.7 t0 51.71 56.99 7.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -102.29 -179.77 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.506 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -123.33 122.31 38.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.489 ' HB3' HD21 ' A' ' 46' ' ' LEU . 82.0 m-85 -139.47 132.77 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -78.12 -179.44 6.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.633 HD13 ' HA ' ' A' ' 52' ' ' GLU . 42.0 pt -95.54 -16.71 7.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -110.47 14.33 22.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.7 m -111.36 -23.74 10.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 41' ' ' TYR . 10.9 mt -70.3 -169.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.41 105.62 0.43 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.632 0.73 . . . . 0.0 110.869 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.447 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.8 Cg_endo -69.74 148.3 86.4 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.667 -1.806 . . . . 0.0 112.358 -0.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.35 19.13 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.2 mt -113.12 159.48 34.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.637 0.732 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -39.95 5.84 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.65 2.234 . . . . 0.0 112.361 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.633 ' HA ' HD13 ' A' ' 43' ' ' ILE . 4.9 pt-20 -173.26 -179.15 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.406 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.4 mm -51.49 131.48 35.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.728 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.544 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.4 Cg_endo -69.76 171.87 13.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.66 -74.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.17 -144.12 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.9 mt -82.72 131.12 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 111.101 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.429 ' CG ' HD23 ' A' ' 32' ' ' LEU . 75.1 t90 -117.54 140.09 50.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.46 160.3 21.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.522 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.36 158.67 34.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.522 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.9 Cg_endo -69.74 -24.38 29.84 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -70.5 -18.73 62.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 19.6 m -103.06 -42.16 5.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.3 mt -66.5 -45.38 89.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.18 -16.83 63.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.32 -37.0 11.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -78.9 -26.78 43.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.866 0.365 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -129.08 113.63 15.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.7 mm -116.28 131.58 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.6 t -54.74 153.73 5.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -107.43 22.86 15.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -132.45 -42.37 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.59 -16.76 11.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m 63.77 63.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -124.82 175.74 7.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -136.9 -38.23 0.16 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -22.36 61.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.742 0.306 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -85.08 -0.32 54.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.47 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.1 p-10 -50.51 -27.94 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.28 -29.04 13.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -124.23 32.82 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.502 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.4 mt -86.17 143.34 28.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.611 HD21 ' HD3' ' A' ' 54' ' ' PRO . 7.8 mp -103.92 149.91 24.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -113.82 131.63 56.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.6 t -87.54 138.42 31.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -91.1 46.14 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.01 -39.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.521 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.9 p -125.76 -2.23 7.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 110.823 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 47.5 t0 51.69 56.14 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -102.25 -179.77 4.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.502 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.3 m120 -125.42 122.29 36.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -137.63 135.8 36.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -81.53 170.81 15.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.748 HD13 ' HA ' ' A' ' 52' ' ' GLU . 9.9 pt -89.96 -0.5 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -127.76 16.11 6.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.5 m -113.13 -24.51 9.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 mt -71.05 -169.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.61 105.51 0.46 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.613 0.721 . . . . 0.0 110.923 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 54.0 Cg_endo -69.73 148.28 86.32 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.337 -0.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 178.45 4.54 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.488 HD11 ' HE1' ' A' ' 58' ' ' TRP . 42.0 mt -118.58 157.78 48.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.616 0.722 . . . . 0.0 110.945 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -44.36 2.11 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.383 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.748 ' HA ' HD13 ' A' ' 43' ' ' ILE . 6.4 pt-20 -169.85 176.66 4.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.564 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.7 mm -51.51 131.4 35.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.679 0.752 . . . . 0.0 111.148 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.611 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.72 173.5 10.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -96.97 -74.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.05 -144.53 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.4 mt -81.99 130.87 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.488 ' HE1' HD11 ' A' ' 50' ' ' LEU . 75.1 t90 -117.37 140.13 49.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.41 160.27 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.528 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.6 p -96.41 158.84 33.18 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.685 0.755 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.528 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.6 Cg_endo -69.78 -23.47 30.68 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -19.76 62.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 28.6 m -102.65 -41.34 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.0 mt -66.84 -45.26 88.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.8 mt -66.09 -17.01 64.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.51 -49.35 6.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -70.08 -31.03 68.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.929 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.85 0.357 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -117.16 112.94 21.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.2 mm -116.18 129.04 73.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.4 t -52.01 154.54 2.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -108.24 21.93 16.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.1 t -131.18 -42.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -115.24 -17.05 11.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 m 63.86 63.4 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -123.59 179.98 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.39 -40.2 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -22.61 61.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.324 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -83.7 -0.26 50.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.466 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.9 p-10 -50.05 -28.09 6.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -51.54 -28.72 14.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -123.85 32.47 5.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.9 140.86 29.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.562 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.4 mp -101.81 152.86 20.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -116.51 129.64 56.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 t -84.13 139.05 32.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -91.18 45.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.63 -39.12 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -125.47 -2.45 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.0 t0 51.65 56.47 7.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.809 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -101.43 -179.83 4.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.505 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.2 m120 -124.49 122.27 37.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.582 ' HB3' HD21 ' A' ' 46' ' ' LEU . 85.8 m-85 -139.0 133.69 32.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -79.4 176.43 9.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.659 HD13 ' HA ' ' A' ' 52' ' ' GLU . 33.9 pt -92.73 -10.67 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -117.94 17.88 14.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.9 m -114.25 -23.8 9.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.582 HD21 ' HB3' ' A' ' 41' ' ' TYR . 11.8 mt -71.85 -169.33 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.442 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.01 105.44 0.44 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.62 0.724 . . . . 0.0 110.936 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.6 Cg_endo -69.76 148.25 86.34 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.361 -0.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 176.31 6.94 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.694 2.263 . . . . 0.0 112.377 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.84 158.42 45.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -41.95 3.9 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.329 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.659 ' HA ' HD13 ' A' ' 43' ' ' ILE . 3.6 pt-20 -171.95 178.57 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.454 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.8 mm -51.41 131.42 34.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.562 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.0 Cg_endo -69.73 171.45 14.41 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.37 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -95.67 -73.64 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.15 -144.27 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.448 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 91.2 mt -82.71 131.05 34.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.43 ' CG ' HD23 ' A' ' 32' ' ' LEU . 74.6 t90 -117.69 140.42 49.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.81 160.13 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.53 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.6 p -95.35 158.77 34.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.53 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.0 Cg_endo -69.73 -24.61 29.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -70.44 -18.79 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.3 m -102.82 -42.39 5.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.3 mt -66.4 -45.24 89.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.8 mt -66.16 -17.29 64.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.06 -48.54 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.056 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -29.33 67.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 40.7 t . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.938 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -125.23 111.44 15.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.3 mm -114.11 132.77 62.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.4 t -56.0 153.78 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -107.18 22.67 15.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.3 t -132.46 -42.77 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -115.1 -16.82 11.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m 63.77 63.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -125.05 174.89 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.96 -37.99 0.18 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.36 -22.29 61.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -85.25 -0.44 54.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.474 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.1 p-10 -50.37 -28.05 7.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.26 -28.94 13.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mttp -124.26 32.82 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.3 mt -86.36 143.83 27.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.598 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.0 mp -104.29 150.22 24.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -115.15 130.11 56.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.3 t -85.0 140.16 31.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -91.32 46.08 1.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.03 -43.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.1 p -118.02 -14.08 9.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.795 0.331 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.9 t0 63.62 48.85 3.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -96.12 -179.35 4.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.505 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.3 m120 -125.28 122.25 36.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -137.23 135.77 37.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -81.31 171.99 14.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.75 HD13 ' HA ' ' A' ' 52' ' ' GLU . 10.0 pt -91.12 -0.17 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -127.94 15.6 6.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.4 m -112.46 -24.66 9.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.03 -169.33 0.35 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.453 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.8 105.47 0.45 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.617 0.723 . . . . 0.0 110.902 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.8 Cg_endo -69.76 148.24 86.32 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.323 -0.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -179.5 2.95 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.473 HD11 ' HE1' ' A' ' 58' ' ' TRP . 46.5 mt -120.88 157.7 54.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -44.54 2.02 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.75 ' HA ' HD13 ' A' ' 43' ' ' ILE . 17.9 pt-20 -169.49 176.74 4.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.557 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.4 mm -51.53 131.44 35.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 111.125 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.598 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.82 171.15 15.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.258 . . . . 0.0 112.345 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -95.88 -72.36 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.27 -143.26 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 88.6 mt -84.35 131.46 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.159 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.473 ' HE1' HD11 ' A' ' 50' ' ' LEU . 76.3 t90 -118.21 141.0 48.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.89 160.32 22.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.529 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -96.49 158.93 32.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.529 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.0 Cg_endo -69.77 -23.79 30.36 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.73 2.287 . . . . 0.0 112.328 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -70.7 -19.29 62.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 26.5 m -102.86 -41.55 6.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.2 mt -66.92 -45.31 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.98 -17.36 64.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.12 -44.02 9.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.45 -28.2 61.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -117.85 112.88 20.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.2 mm -116.4 128.96 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 t -51.92 154.29 2.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -108.07 22.17 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.5 t -131.5 -42.52 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.35 -17.13 11.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 m 63.94 63.4 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -123.71 -179.97 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.44 -40.48 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -22.51 60.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -83.59 -0.25 49.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.443 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.8 p-10 -49.96 -27.88 6.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.52 -28.6 14.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -123.88 32.15 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.57 140.67 29.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.543 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -101.84 155.75 17.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -118.76 128.85 54.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.8 t -83.0 139.03 33.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -91.31 45.81 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.72 -38.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.35 -2.57 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 t0 51.48 57.22 6.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -102.65 -179.87 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.505 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -123.32 122.26 37.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.515 ' HB3' HD21 ' A' ' 46' ' ' LEU . 82.7 m-85 -139.27 132.84 30.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -78.18 -179.28 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.637 HD13 ' HA ' ' A' ' 52' ' ' GLU . 41.1 pt -95.7 -16.57 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -110.68 14.37 22.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.4 m -111.39 -23.91 10.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.515 HD21 ' HB3' ' A' ' 41' ' ' TYR . 12.0 mt -70.17 -169.35 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.442 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.47 105.56 0.42 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.637 0.732 . . . . 0.0 110.953 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 54.0 Cg_endo -69.73 148.3 86.36 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.38 -0.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 169.35 19.2 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.8 mt -112.92 159.52 34.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -40.12 5.67 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.315 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.637 ' HA ' HD13 ' A' ' 43' ' ' ILE . 3.2 pt-20 -173.27 -179.17 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.402 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.4 mm -51.47 131.46 34.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.543 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.78 172.08 13.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.303 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.63 -74.7 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.05 -145.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.438 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.9 mt -81.48 130.9 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.428 ' CG ' HD23 ' A' ' 32' ' ' LEU . 74.1 t90 -117.39 140.01 50.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.26 160.22 22.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.524 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.35 158.69 34.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.592 0.711 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.524 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.0 Cg_endo -69.76 -24.1 30.06 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -70.66 -18.9 62.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.5 m -103.11 -41.76 5.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.5 mt -66.88 -45.09 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.169 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.3 mt -65.89 -16.95 64.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.27 -40.27 10.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -77.18 -26.16 52.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.0 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.896 0.379 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -132.35 112.98 12.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.4 mm -116.05 128.83 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 t -51.96 154.31 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -108.07 22.2 16.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.9 t -131.33 -42.76 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.26 -17.04 11.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m 63.94 63.36 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -123.18 179.94 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.36 -41.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.447 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.09 -22.57 61.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -83.23 -0.09 47.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.447 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.6 p-10 -50.09 -27.65 5.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -28.85 12.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.7 mttp -123.85 32.69 5.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.515 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.7 mt -87.33 138.49 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.547 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.7 mp -99.48 155.9 17.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -118.93 128.85 54.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.8 t -82.7 139.31 33.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -91.43 45.58 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.58 -38.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.26 -2.66 7.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.363 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.7 t0 51.64 56.98 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -102.3 -179.75 4.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.515 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -123.35 122.24 37.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.433 ' HB3' HD21 ' A' ' 46' ' ' LEU . 82.0 m-85 -139.39 132.66 29.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -78.13 179.98 6.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.621 HD13 ' HA ' ' A' ' 52' ' ' GLU . 43.9 pt -94.62 -17.25 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -110.21 14.56 22.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.7 m -111.6 -23.89 10.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.433 HD21 ' HB3' ' A' ' 41' ' ' TYR . 9.6 mt -70.21 -169.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.446 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.41 105.61 0.43 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.653 0.739 . . . . 0.0 110.898 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.8 Cg_endo -69.79 148.27 86.43 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.339 -0.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 169.56 18.57 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.685 2.257 . . . . 0.0 112.355 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.8 mt -113.47 159.5 35.1 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.634 0.73 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -39.8 6.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.621 ' HA ' HD13 ' A' ' 43' ' ' ILE . 3.7 pt-20 -173.4 -179.1 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.406 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.5 mm -51.42 131.43 34.32 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.547 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.77 171.99 13.47 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.715 2.277 . . . . 0.0 112.316 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.6 -74.48 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.09 -144.57 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.8 mt -82.02 131.03 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.143 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.427 ' CG ' HD23 ' A' ' 32' ' ' LEU . 75.2 t90 -117.49 139.97 50.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.23 160.26 21.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.524 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.39 158.68 34.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.609 0.719 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.524 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.2 Cg_endo -69.72 -24.28 30.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.44 -18.93 63.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.8 m -103.04 -42.0 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.6 mt -66.64 -45.26 88.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.47 -16.95 64.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.73 -45.39 8.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -73.89 -26.9 60.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.923 0.392 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -121.06 113.53 20.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.0 mm -117.75 128.02 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.3 t -52.0 150.92 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -105.34 22.65 15.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.7 t -130.68 -42.77 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.0 p -115.81 -16.58 11.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m 63.82 63.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -123.78 -179.97 4.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.71 -40.53 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -22.58 61.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -83.44 -0.22 49.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.45 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.8 p-10 -49.94 -27.84 5.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.65 -28.36 14.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -123.88 31.8 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.51 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.35 140.98 29.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.543 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.7 mp -102.2 155.83 17.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -118.67 129.03 55.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.0 t -83.45 138.98 33.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -91.22 45.76 1.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.55 -39.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.1 p -125.19 -2.82 7.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.322 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 51.74 56.8 7.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -102.52 -179.7 4.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.51 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -123.46 122.27 37.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.5 ' HB3' HD21 ' A' ' 46' ' ' LEU . 83.1 m-85 -139.22 132.76 30.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.6 m170 -77.77 -178.44 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.638 HD13 ' HA ' ' A' ' 52' ' ' GLU . 40.1 pt -96.9 -16.52 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -110.36 13.64 22.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.5 m -110.86 -24.38 10.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 41' ' ' TYR . 12.2 mt -69.33 -169.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.446 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.47 105.67 0.42 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.639 0.733 . . . . 0.0 110.893 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.7 Cg_endo -69.75 148.28 86.38 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.72 -1.783 . . . . 0.0 112.354 -0.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.63 21.02 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.2 mt -112.39 159.42 34.05 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.66 0.743 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -40.31 5.52 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.734 2.289 . . . . 0.0 112.334 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.638 ' HA ' HD13 ' A' ' 43' ' ' ILE . 8.3 pt-20 -172.94 -179.19 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.405 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.4 mm -51.48 131.41 34.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.543 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.71 172.19 13.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -95.65 -74.83 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.1 -145.57 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.7 mt -80.85 130.7 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.123 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.421 ' CG ' HD23 ' A' ' 32' ' ' LEU . 74.2 t90 -117.33 139.91 50.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.01 160.25 21.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.522 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -95.39 158.63 34.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.671 0.748 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.522 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.7 Cg_endo -69.72 -24.16 30.18 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.337 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -18.82 62.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.9 m -103.14 -41.91 5.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.7 mt -66.84 -45.17 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.76 -17.04 64.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.66 -45.33 9.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -72.61 -31.49 65.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -119.67 112.74 19.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.6 mm -116.6 129.02 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.18 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.4 t -52.38 154.11 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -107.87 22.39 16.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.5 t -131.77 -42.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.54 -16.95 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m 63.89 63.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -124.36 177.17 6.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.88 -39.44 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -59.26 -22.37 61.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -84.35 -0.14 51.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.466 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.9 p-10 -50.12 -28.01 6.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -28.42 14.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -123.9 31.96 5.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.45 143.44 27.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.59 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.5 mp -104.95 152.66 22.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -115.96 129.74 56.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.0 t -84.79 139.17 32.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -91.39 45.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.13 -39.13 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.3 p -125.14 -2.85 7.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.0 t0 51.7 56.25 8.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -102.33 -179.58 4.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.501 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -124.23 122.31 37.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.55 ' HB3' HD21 ' A' ' 46' ' ' LEU . 78.3 m-85 -138.33 134.3 34.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -79.94 175.74 10.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.721 HD13 ' HA ' ' A' ' 52' ' ' GLU . 13.4 pt -93.22 -7.35 10.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -120.93 16.83 11.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.0 m -113.31 -23.76 9.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.55 HD21 ' HB3' ' A' ' 41' ' ' TYR . 10.2 mt -72.17 -169.46 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.06 105.55 0.44 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.718 . . . . 0.0 110.918 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.8 Cg_endo -69.75 148.25 86.31 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.355 -0.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -177.96 2.11 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.312 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.3 mt -124.05 159.37 56.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -43.55 2.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.721 ' HA ' HD13 ' A' ' 43' ' ' ILE . 14.9 pt-20 -171.45 179.91 2.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.474 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.1 mm -51.56 131.42 35.69 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.59 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.1 Cg_endo -69.8 173.1 11.5 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -96.13 -74.92 0.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.36 -145.17 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 91.1 mt -80.86 131.13 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.813 0.34 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.437 ' CD2' HD23 ' A' ' 32' ' ' LEU . 75.4 t90 -117.84 140.3 49.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.74 160.28 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.525 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.4 p -95.99 158.67 33.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.3 Cg_endo -69.74 -24.0 30.27 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.256 . . . . 0.0 112.363 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -19.21 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.8 m -102.72 -42.06 6.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.8 mt -66.56 -45.41 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.1 mt -66.01 -17.26 64.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.16 -47.35 8.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -70.45 -36.74 74.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 39.5 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.915 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.899 0.381 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -118.14 111.27 18.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.6 mm -114.27 131.76 65.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.1 t -55.23 153.87 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -107.34 22.61 15.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.6 t -132.2 -42.66 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -115.45 -16.62 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m 63.81 63.31 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -124.97 174.57 7.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.71 -38.08 0.18 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.432 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -59.4 -22.24 61.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.815 0.341 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -85.47 -0.34 54.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.474 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.0 p-10 -50.38 -27.8 6.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.2 -29.02 12.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -124.16 32.55 5.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.3 mt -86.0 144.05 27.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.599 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.1 mp -104.79 150.72 24.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -115.37 130.5 56.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.9 t -85.23 140.4 30.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -91.44 45.7 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.72 -43.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.0 p -117.94 -14.19 10.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.9 t0 63.55 48.77 3.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -96.48 -179.2 4.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.512 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.2 m120 -124.92 122.32 37.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.536 ' HB3' HD21 ' A' ' 46' ' ' LEU . 90.6 m-85 -137.0 135.86 37.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -81.24 171.95 14.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.733 HD13 ' HA ' ' A' ' 52' ' ' GLU . 11.5 pt -90.65 -4.27 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -123.63 14.63 9.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.2 m -111.32 -24.01 10.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 41' ' ' TYR . 10.1 mt -71.57 -169.42 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.0 105.45 0.44 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.654 0.74 . . . . 0.0 110.968 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.4 Cg_endo -69.83 148.28 86.56 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.326 -0.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -179.19 2.72 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.354 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.426 HD11 ' HE1' ' A' ' 58' ' ' TRP . 39.1 mt -121.97 158.39 55.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.631 0.729 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -44.05 2.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.733 ' HA ' HD13 ' A' ' 43' ' ' ILE . 2.1 pt-20 -170.26 177.93 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.545 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.4 mm -51.52 131.38 35.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.584 0.707 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.599 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.2 Cg_endo -69.75 171.77 13.86 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.665 2.244 . . . . 0.0 112.327 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -96.21 -72.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.25 -143.49 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.493 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.3 mt -84.04 131.21 34.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.454 ' CD2' HD23 ' A' ' 32' ' ' LEU . 75.8 t90 -117.98 140.96 48.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.78 160.31 22.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.529 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 11.9 p -96.58 158.9 32.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.529 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.6 Cg_endo -69.71 -23.65 30.8 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.676 2.25 . . . . 0.0 112.333 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -70.53 -19.59 62.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 33.3 m -102.89 -41.43 6.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.1 mt -66.68 -45.24 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 53.3 mt -65.43 -17.11 64.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.63 -34.0 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -81.52 -28.95 33.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.897 0.379 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -124.06 114.25 19.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.3 mm -116.97 129.2 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.9 t -52.16 154.41 2.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -108.15 22.07 16.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.2 t -131.38 -42.59 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.28 -17.09 11.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.88 63.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -123.8 179.99 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.4 -40.41 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -22.55 61.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.738 0.304 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -83.61 -0.14 49.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.44 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.8 p-10 -49.94 -27.95 6.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -51.5 -28.54 13.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -123.91 32.12 5.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.62 140.28 30.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.548 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -101.5 155.69 17.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -118.91 128.8 54.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.7 t -83.14 139.24 33.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -91.37 45.6 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.37 -38.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.0 p -125.26 -2.65 7.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t0 51.53 56.82 7.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -102.45 -179.72 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.507 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -123.43 122.38 38.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.517 ' HB3' HD21 ' A' ' 46' ' ' LEU . 83.2 m-85 -139.28 132.8 30.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -78.21 -179.35 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.819 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.635 HD13 ' HA ' ' A' ' 52' ' ' GLU . 41.4 pt -95.71 -16.24 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -111.07 14.58 21.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.2 m -111.58 -23.91 10.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.517 HD21 ' HB3' ' A' ' 41' ' ' TYR . 12.0 mt -70.15 -169.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.438 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.3 105.57 0.43 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.552 0.691 . . . . 0.0 110.936 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 54.0 Cg_endo -69.72 148.31 86.38 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.339 -0.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 169.53 18.81 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.656 2.237 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.0 mt -112.93 159.48 34.38 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -40.03 5.7 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.292 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.635 ' HA ' HD13 ' A' ' 43' ' ' ILE . 12.0 pt-20 -173.38 -179.24 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.406 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.5 mm -51.48 131.47 34.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.664 0.745 . . . . 0.0 111.133 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.548 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.79 172.18 13.13 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.239 . . . . 0.0 112.368 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.1 mtt85 -95.45 -74.78 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.54 -146.29 0.11 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.2 mt -79.83 130.59 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 111.132 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.424 ' CG ' HD23 ' A' ' 32' ' ' LEU . 74.4 t90 -117.31 139.75 50.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.96 160.21 21.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.525 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.3 158.73 34.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.711 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.7 Cg_endo -69.74 -24.27 29.95 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.691 2.26 . . . . 0.0 112.389 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -18.77 62.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.9 m -103.15 -41.95 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.7 mt -66.79 -45.28 88.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.68 -17.12 64.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.07 -44.97 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -73.33 -33.79 65.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.1 t . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.898 0.38 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -112.18 111.13 21.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.969 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.639 HG22 ' HA ' ' A' ' 23' ' ' SER . 24.9 mm -110.6 135.18 50.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.1 t -51.97 149.62 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -101.31 20.71 15.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.0 t -131.56 -42.12 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.6 p -116.35 -16.86 10.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.639 ' HA ' HG22 ' A' ' 18' ' ' ILE . 11.9 t 63.65 63.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -125.64 167.25 15.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -128.55 -35.56 0.49 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -22.27 61.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -88.5 -0.25 57.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.478 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.3 p-10 -50.28 -27.58 6.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.31 -28.98 13.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -124.16 32.28 5.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.1 mt -85.27 143.25 28.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.604 HD21 ' HD3' ' A' ' 54' ' ' PRO . 7.8 mp -104.0 149.78 24.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -114.08 131.75 56.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.2 t -87.36 138.54 31.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -91.31 45.9 1.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.9 -39.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 p -125.76 -2.06 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t0 51.64 55.94 8.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -101.23 -179.66 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.512 ' HB3' HD22 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -126.39 122.29 34.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -138.52 136.71 36.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 44.2 m170 -82.09 171.91 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.744 HD13 ' HA ' ' A' ' 52' ' ' GLU . 10.3 pt -90.29 -0.0 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -128.15 14.58 6.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.0 m -111.38 -24.72 10.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.8 mt -70.92 -169.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.8 105.5 0.45 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.598 0.713 . . . . 0.0 110.96 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 54.3 Cg_endo -69.74 148.35 86.49 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.314 -0.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 179.16 3.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.674 2.25 . . . . 0.0 112.334 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.47 HD11 ' HE1' ' A' ' 58' ' ' TRP . 43.0 mt -119.44 158.01 50.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -44.45 2.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.744 ' HA ' HD13 ' A' ' 43' ' ' ILE . 13.5 pt-20 -169.44 176.65 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.558 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.7 mm -51.64 131.49 36.46 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.666 0.746 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.604 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.4 Cg_endo -69.77 172.37 12.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.306 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -95.91 -74.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.98 -146.09 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.513 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.0 mt -80.12 130.63 35.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 111.121 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.47 ' HE1' HD11 ' A' ' 50' ' ' LEU . 74.1 t90 -117.29 139.76 50.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.84 160.25 21.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.527 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.0 p -96.25 158.87 33.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.616 0.722 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.527 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.0 Cg_endo -69.75 -23.75 30.47 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.358 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -70.4 -19.64 62.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 30.9 m -102.81 -41.61 6.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.4 mt -66.76 -45.02 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.9 mt -66.63 -17.24 64.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.79 -48.48 7.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -26.52 63.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 -179.953 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.873 0.368 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -131.94 111.26 11.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.948 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.511 HG22 ' HA ' ' A' ' 23' ' ' SER . 23.1 mm -113.51 131.77 64.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.8 t -51.86 150.52 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -103.04 21.64 15.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.1 t -131.84 -42.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.4 p -116.54 -12.04 11.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.511 ' HA ' HG22 ' A' ' 18' ' ' ILE . 28.4 t 58.71 63.78 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -125.65 168.96 13.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.79 -36.05 0.37 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -22.19 61.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -87.32 -0.3 56.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.473 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.3 p-10 -50.34 -27.52 6.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -51.37 -28.92 13.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -124.2 32.44 5.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.502 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.2 mt -85.53 143.66 28.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.6 HD21 ' HD3' ' A' ' 54' ' ' PRO . 7.8 mp -104.26 150.06 24.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -114.03 131.78 56.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.2 t -87.15 138.34 31.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -91.09 46.25 1.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.28 -39.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.3 p -126.04 -1.8 7.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t0 51.49 56.31 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -101.6 -179.78 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.829 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.502 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.1 m120 -125.89 122.33 35.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.473 ' HB3' HD21 ' A' ' 46' ' ' LEU . 86.0 m-85 -138.44 136.28 36.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -81.49 172.79 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.746 HD13 ' HA ' ' A' ' 52' ' ' GLU . 9.7 pt -91.9 -0.49 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -127.42 13.79 7.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.5 m -111.13 -24.28 10.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.473 HD21 ' HB3' ' A' ' 41' ' ' TYR . 8.7 mt -70.87 -169.42 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.423 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.88 105.53 0.45 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.622 0.725 . . . . 0.0 110.938 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.5 Cg_endo -69.78 148.33 86.53 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.303 -0.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 178.7 4.32 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.369 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.472 HD11 ' HE1' ' A' ' 58' ' ' TRP . 47.0 mt -119.25 157.98 49.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.608 0.718 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -44.84 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.746 ' HA ' HD13 ' A' ' 43' ' ' ILE . 13.0 pt-20 -169.38 176.63 5.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.558 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.5 mm -51.52 131.42 35.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 111.122 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.6 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.78 172.32 12.87 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.0 mtt85 -96.26 -73.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.14 -144.03 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.9 mt -83.06 131.07 34.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.127 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.472 ' HE1' HD11 ' A' ' 50' ' ' LEU . 75.3 t90 -117.49 140.16 49.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.4 160.31 21.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.528 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.7 p -96.26 158.84 33.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.528 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.6 Cg_endo -69.79 -23.85 30.2 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -19.51 62.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 23.1 m -102.55 -41.99 6.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mt -66.41 -45.47 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.6 mt -65.64 -16.93 64.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.27 -45.73 9.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.086 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -73.59 -32.39 64.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.3 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.945 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -121.36 113.01 19.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.3 mm -116.87 131.75 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.1 t -54.33 152.64 6.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -107.3 24.48 12.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.8 t -133.64 -41.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.0 p -116.09 -16.84 11.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m 63.95 63.24 0.83 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.7 mmt-85 -123.31 179.99 4.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.01 -40.26 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.539 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.31 -22.14 60.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -84.92 0.01 52.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.453 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.8 p-10 -49.91 -27.42 5.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -51.36 -28.6 12.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -123.64 32.44 5.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.9 mt -88.13 133.79 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.54 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -93.97 156.59 16.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -119.5 129.31 54.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.2 t -84.24 139.2 32.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -91.44 45.62 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.19 -39.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 p -125.46 -2.34 7.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.5 t0 51.59 55.84 8.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -100.7 -179.91 4.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.538 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.3 m120 -125.13 122.22 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.513 ' HB3' HD21 ' A' ' 46' ' ' LEU . 87.4 m-85 -138.02 134.8 35.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -79.85 -179.61 7.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.828 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.663 HD13 ' HA ' ' A' ' 52' ' ' GLU . 30.7 pt -97.28 -11.68 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -116.06 17.02 15.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 33.2 m -114.19 -25.32 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.513 HD21 ' HB3' ' A' ' 41' ' ' TYR . 14.0 mt -68.2 -169.5 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.43 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.66 105.47 0.46 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.59 0.71 . . . . 0.0 110.942 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.9 Cg_endo -69.76 148.23 86.31 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.313 -0.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 160.61 49.08 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.377 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.8 mt -102.4 159.61 28.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.699 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -41.11 4.62 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.663 ' HA ' HD13 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -174.8 -179.09 1.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.8 mm -50.79 131.27 28.68 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.64 0.733 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.54 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.4 Cg_endo -69.75 176.56 6.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -98.05 -74.89 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.83 -148.64 0.5 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 83.6 mt -74.9 129.86 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.426 ' CD2' HD23 ' A' ' 32' ' ' LEU . 76.2 t90 -117.24 139.41 50.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -117.15 160.34 21.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.524 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.0 p -95.53 158.74 34.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.729 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.524 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.2 Cg_endo -69.76 -24.18 29.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.686 2.258 . . . . 0.0 112.345 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -70.64 -18.78 62.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.9 m -103.1 -41.97 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.1 mt -66.75 -45.3 88.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.93 -17.1 64.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.66 -47.65 7.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -28.26 62.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.84 -179.903 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -124.38 111.21 15.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.5 mm -115.67 132.51 64.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.0 t -55.86 152.95 9.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -106.69 23.7 13.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.6 t -133.68 -42.29 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.6 p -115.32 -17.23 11.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.4 m 63.79 63.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -122.85 179.81 4.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.35 -39.67 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -22.14 61.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.756 0.312 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -85.32 0.02 53.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.468 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.9 p-10 -49.96 -27.68 5.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -28.8 12.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -123.7 32.99 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 40' ' ' ASN . 4.0 mt -88.59 135.23 33.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.545 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -96.32 157.24 15.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -119.57 128.82 54.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.0 t -83.94 138.51 33.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -91.16 46.05 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.56 -39.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.14 -2.79 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t70 51.63 57.29 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -103.27 -179.81 4.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.816 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.535 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.5 m120 -124.86 122.24 36.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -137.11 135.94 37.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -80.98 177.25 9.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.75 HD13 ' HA ' ' A' ' 52' ' ' GLU . 13.2 pt -95.67 -2.7 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -126.1 17.62 7.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.3 m -114.54 -24.99 8.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mt -70.12 -169.45 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.444 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.98 105.57 0.44 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 0.0 110.904 179.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.444 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.2 Cg_endo -69.84 148.31 86.65 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.318 -0.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 176.49 6.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.433 HD11 ' HE1' ' A' ' 58' ' ' TRP . 26.9 mt -118.42 159.34 44.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.928 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -42.19 3.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.311 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.75 ' HA ' HD13 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -174.33 -178.73 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.7 mm -51.01 131.17 30.33 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.625 0.726 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.545 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.76 177.32 5.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -98.35 -74.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.84 -146.54 0.38 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.6 mt -76.96 130.94 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.433 ' HE1' HD11 ' A' ' 50' ' ' LEU . 79.0 t90 -117.83 140.19 50.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.28 160.4 21.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.526 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.3 p -95.83 158.74 33.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.864 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.7 Cg_endo -69.78 -24.11 29.98 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.377 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.62 -18.89 62.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.0 m -103.05 -41.99 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.2 mt -66.72 -45.4 88.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.08 -17.44 64.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.92 -44.08 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -27.87 61.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.908 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.4 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.895 0.378 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -121.71 112.26 18.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.7 mm -115.34 130.67 69.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.158 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.8 t -53.86 154.05 4.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -107.76 22.42 15.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.2 t -132.06 -42.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -115.6 -17.21 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 m 63.84 63.58 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -123.3 179.91 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.5 -39.82 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.448 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.45 -22.06 60.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.726 0.298 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -85.51 -0.06 53.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.457 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.9 p-10 -49.76 -27.7 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.39 -28.62 13.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -123.64 32.57 5.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 40' ' ' ASN . 4.0 mt -88.1 133.75 33.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.546 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -93.79 156.32 16.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -119.11 129.62 55.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.3 t -84.54 138.82 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -91.27 45.78 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.3 -38.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.507 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 p -126.22 -1.39 7.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.78 56.49 7.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.81 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -101.2 -179.9 4.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.537 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.3 m120 -125.08 122.28 36.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.521 ' HB3' HD21 ' A' ' 46' ' ' LEU . 86.3 m-85 -138.11 134.95 35.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.2 m170 -80.45 177.97 8.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.876 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.609 HD13 ' HA ' ' A' ' 52' ' ' GLU . 40.6 pt -93.97 -13.82 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -114.41 16.89 17.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.2 m -113.56 -25.38 8.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 41' ' ' TYR . 14.3 mt -68.4 -169.47 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.5 105.43 0.47 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.619 0.723 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.8 Cg_endo -69.74 148.26 86.29 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.315 -0.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 160.26 50.34 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.325 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.4 mt -101.99 159.54 29.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.634 0.731 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -40.19 5.62 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.609 ' HA ' HD13 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -175.09 -179.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.7 mm -51.06 131.27 30.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.546 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.7 175.99 7.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.379 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -97.6 -74.87 0.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.51 -148.23 0.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.1 mt -75.47 130.11 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.424 ' CD2' HD23 ' A' ' 32' ' ' LEU . 76.2 t90 -117.36 139.37 50.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -117.13 160.31 21.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.526 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.3 p -95.44 158.76 34.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.655 0.741 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.3 Cg_endo -69.75 -24.16 30.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.61 -18.86 62.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.7 m -103.05 -42.04 5.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.811 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.3 mt -66.7 -45.41 88.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.69 -17.16 64.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.25 -47.7 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -27.93 62.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.2 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.862 0.363 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -117.29 111.98 20.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.2 mm -114.26 132.79 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.4 t -56.03 153.86 8.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -107.18 22.75 15.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.4 t -132.62 -42.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -114.95 -16.81 11.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m 63.78 63.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.0 mmt-85 -125.07 174.62 7.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.72 -37.87 0.18 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -22.32 61.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.791 0.329 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -85.26 -0.44 54.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.474 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.1 p-10 -50.43 -27.89 7.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.3 -29.06 13.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -124.25 32.84 5.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.504 HD13 ' HB3' ' A' ' 40' ' ' ASN . 3.3 mt -86.27 144.05 27.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.955 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.595 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.0 mp -104.52 150.33 24.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -115.25 130.26 56.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.5 t -85.2 140.24 31.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -91.32 45.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.83 -43.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.47 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.9 p -117.98 -13.99 10.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 t70 63.63 48.5 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -95.69 -179.12 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.504 ' HB3' HD13 ' A' ' 31' ' ' LEU . 1.2 m120 -125.53 122.28 36.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -137.23 135.72 37.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -81.37 171.93 14.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.749 HD13 ' HA ' ' A' ' 52' ' ' GLU . 10.1 pt -90.96 -0.15 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -127.99 15.76 6.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.2 m -112.67 -24.61 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.07 -169.5 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.452 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.6 105.5 0.46 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.618 0.723 . . . . 0.0 110.952 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.4 Cg_endo -69.78 148.32 86.52 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.337 -0.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -179.75 3.14 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.47 HD11 ' HE1' ' A' ' 58' ' ' TRP . 46.6 mt -120.62 157.66 53.66 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.613 0.72 . . . . 0.0 110.922 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -44.48 2.06 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.749 ' HA ' HD13 ' A' ' 43' ' ' ILE . 10.2 pt-20 -169.45 176.77 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.553 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.4 mm -51.53 131.43 35.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 0.0 111.164 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.595 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.79 171.61 14.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.25 -72.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.17 -143.88 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.0 mt -83.62 130.81 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.47 ' HE1' HD11 ' A' ' 50' ' ' LEU . 75.6 t90 -117.6 140.83 49.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.63 160.31 22.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.531 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -96.4 158.87 33.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.531 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.2 Cg_endo -69.73 -23.86 30.48 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -70.73 -19.24 62.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 23.3 m -102.91 -41.59 6.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.8 mt -66.92 -45.21 87.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.95 -16.96 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.77 -37.8 11.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -76.67 -32.99 58.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.4 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -122.0 111.26 16.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.523 HG22 ' HA ' ' A' ' 23' ' ' SER . 24.9 mm -116.31 132.52 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.2 t -51.94 151.1 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -103.67 23.07 13.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.5 t -134.22 -41.47 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.4 p -116.8 -12.95 10.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.523 ' HA ' HG22 ' A' ' 18' ' ' ILE . 28.1 t 58.65 64.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.7 mmt-85 -125.64 168.81 13.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.36 -37.24 0.34 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -59.56 -21.97 61.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.763 0.316 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -86.84 -0.1 55.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.475 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.1 p-10 -50.15 -27.21 5.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -51.49 -28.45 13.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -123.82 31.86 5.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.53 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.63 138.36 31.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.548 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.7 mp -98.91 156.67 16.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -119.78 128.86 54.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.1 t -82.98 139.02 33.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -91.19 45.87 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.76 -39.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -125.43 -2.51 7.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 45.5 t0 51.69 56.68 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -101.41 -179.76 4.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.53 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -124.43 122.22 37.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.443 ' HB3' HD21 ' A' ' 46' ' ' LEU . 82.9 m-85 -138.99 134.23 32.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -78.93 -175.23 4.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.774 HD13 ' HA ' ' A' ' 52' ' ' GLU . 7.5 pt -103.84 -7.11 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -119.05 13.05 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.7 m -110.68 -23.88 10.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.443 HD21 ' HB3' ' A' ' 41' ' ' TYR . 11.7 mt -69.95 -169.38 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.32 105.6 0.43 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.911 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 54.0 Cg_endo -69.75 148.29 86.38 Favored 'Cis proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.357 -0.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 170.2 17.1 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.701 2.268 . . . . 0.0 112.358 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.6 mt -111.87 159.4 33.63 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.597 0.713 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -43.6 2.59 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.701 2.267 . . . . 0.0 112.312 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.774 ' HA ' HD13 ' A' ' 43' ' ' ILE . 1.4 pt-20 -171.92 -178.81 2.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.406 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.4 mm -51.51 131.36 35.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.637 0.732 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.548 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.75 172.61 12.31 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -95.48 -74.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.08 -146.84 0.14 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.2 mt -78.89 130.63 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.426 ' CG ' HD23 ' A' ' 32' ' ' LEU . 74.2 t90 -117.28 139.69 50.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.8 160.27 21.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.523 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -95.08 158.69 34.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.7 Cg_endo -69.73 -24.56 29.7 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -18.58 63.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 19.1 m -103.09 -41.93 5.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.2 mt -66.38 -45.1 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.95 -17.48 57.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.07 -44.42 7.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -75.54 -12.42 60.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.8 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.946 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.861 0.362 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -117.1 111.23 19.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.653 HG22 ' HA ' ' A' ' 23' ' ' SER . 24.9 mm -112.61 135.5 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.1 t -51.88 151.54 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -102.94 21.63 15.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.2 t -133.75 -41.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.15 -17.68 10.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.653 ' HA ' HG22 ' A' ' 18' ' ' ILE . 12.4 t 63.6 63.92 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -126.31 166.06 17.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -127.21 -36.24 0.51 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -22.16 61.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -88.12 -0.03 56.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.477 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.2 p-10 -50.36 -27.03 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.5 -28.34 13.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -124.06 31.66 5.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.514 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.4 mt -85.8 142.32 29.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.544 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -103.14 155.92 18.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -119.63 128.2 53.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.4 t -82.3 139.11 34.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -91.21 45.74 1.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.82 -38.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 p -125.31 -2.56 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 t0 51.62 57.01 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -101.78 -179.72 4.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.514 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.1 m120 -124.54 122.27 37.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -139.11 135.31 33.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -80.35 -177.16 6.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.779 HD13 ' HA ' ' A' ' 52' ' ' GLU . 7.9 pt -101.7 -4.29 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.142 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -122.64 14.09 10.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.3 m -110.35 -23.3 11.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.2 mt -72.49 -169.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.2 105.49 0.44 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.612 0.72 . . . . 0.0 110.923 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.0 Cg_endo -69.81 148.27 86.49 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.32 -0.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 179.4 3.72 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.4 mt -119.88 159.14 47.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.595 0.712 . . . . 0.0 110.959 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -43.77 2.46 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.708 2.272 . . . . 0.0 112.36 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.779 ' HA ' HD13 ' A' ' 43' ' ' ILE . 1.2 pt-20 -172.01 -179.49 2.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.414 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.3 mm -51.46 131.47 34.64 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.666 0.746 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.544 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.75 171.65 14.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.264 . . . . 0.0 112.322 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.81 -74.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.71 -146.58 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.8 mt -79.33 130.97 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.428 ' CD2' HD23 ' A' ' 32' ' ' LEU . 74.2 t90 -117.63 139.93 50.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.21 160.27 21.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.523 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.29 158.71 34.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.5 Cg_endo -69.76 -24.35 29.78 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.326 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -18.81 62.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.1 m -103.03 -42.01 5.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mt -66.51 -45.27 89.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.9 mt -64.45 -16.82 63.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.3 -45.48 8.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -24.53 60.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.44 168.46 14.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.895 0.379 . . . . 0.0 110.879 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 t -133.38 -42.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.94 120.09 3.88 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.524 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 m 59.08 90.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.8 m -119.45 -175.23 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.72 83.0 1.34 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -170.53 38.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.786 0.327 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 m -146.93 78.34 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.8 t -138.12 105.17 5.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -121.22 144.38 48.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -158.61 140.94 14.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -129.8 129.98 44.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.5 mt -135.27 104.23 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -119.3 49.05 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.01 162.65 34.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -129.19 113.33 14.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.6 mm -116.07 129.25 72.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.9 t -52.1 154.3 2.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -108.1 22.21 16.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.3 t -131.22 -42.89 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.25 -16.92 11.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m 63.84 63.44 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -123.77 -179.91 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.42 -40.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.434 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -22.51 61.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.781 0.324 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -83.74 -0.21 49.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.8 p-10 -49.95 -27.9 6.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.53 -28.61 14.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -123.86 32.03 5.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.46 139.56 30.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.543 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.7 mp -100.72 155.83 17.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -118.62 129.27 55.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 t -83.42 138.95 33.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -91.29 45.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.49 -39.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.454 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -125.43 -2.46 7.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 51.59 57.06 6.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -102.48 -179.72 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.509 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.3 m120 -123.53 122.27 37.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -139.33 132.78 30.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -78.09 179.71 6.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.632 HD13 ' HA ' ' A' ' 52' ' ' GLU . 42.2 pt -94.37 -16.97 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -110.23 13.96 22.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.8 m -111.08 -24.24 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.55 -169.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.42 105.65 0.43 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.719 . . . . 0.0 110.901 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.7 Cg_endo -69.77 148.37 86.6 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.341 -0.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 169.38 19.01 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.694 2.263 . . . . 0.0 112.355 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.3 mt -113.57 159.55 35.08 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.589 0.709 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -39.73 6.26 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.658 2.239 . . . . 0.0 112.375 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.632 ' HA ' HD13 ' A' ' 43' ' ' ILE . 8.3 pt-20 -173.22 -179.14 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.403 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.5 mm -51.47 131.45 34.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.599 0.714 . . . . 0.0 111.121 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.543 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.71 172.08 13.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -95.61 -74.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.02 -144.85 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.0 mt -81.77 130.96 34.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.428 ' CG ' HD23 ' A' ' 32' ' ' LEU . 74.8 t90 -117.48 139.84 50.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.05 160.26 21.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.525 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.35 158.71 34.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.663 0.744 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.7 Cg_endo -69.75 -24.31 29.87 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -18.86 62.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.5 m -103.09 -41.99 5.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.3 mt -66.52 -45.11 89.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.32 -16.75 63.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.22 -47.73 7.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -29.88 65.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -52.25 -57.73 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.61 109.11 7.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -127.75 154.76 77.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.649 0.738 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 169.38 19.08 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.707 2.271 . . . . 0.0 112.333 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 81.72 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.631 2.221 . . . . 0.0 112.348 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -174.28 32.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -147.65 36.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -111.16 132.88 53.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.79 -136.5 3.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -110.27 143.77 39.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.73 165.89 18.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.06 169.43 18.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -128.4 109.6 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.1 t -52.58 156.84 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -81.22 159.1 24.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.23 168.82 0.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -112.54 142.19 45.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.0 m -104.79 94.93 5.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.22 -26.36 13.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 m 58.07 78.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 148.32 73.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 143.13 49.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.627 2.218 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.0 m 60.27 -177.74 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 m -165.5 118.12 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.123 -0.82 . . . . 0.0 112.461 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.22 167.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 0.0 110.844 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.96 -172.49 3.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.83 124.93 0.83 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t -161.99 100.95 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 110.898 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.68 96.55 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.45 -81.41 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.56 163.78 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.804 0.335 . . . . 0.0 110.847 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.71 97.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.77 150.5 28.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.98 111.44 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -142.07 146.35 35.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -153.64 130.79 11.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 mp -102.43 124.39 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -89.8 48.87 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.7 m -151.45 161.13 43.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -127.26 112.96 15.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.1 mm -116.43 129.14 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.8 t -52.2 154.45 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -108.15 22.13 16.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.3 t -131.39 -42.61 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.38 -17.0 11.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m 63.82 63.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.1 mmt-85 -123.63 179.95 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.34 -40.39 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -59.16 -22.57 61.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.766 0.317 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -83.68 -0.18 49.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.458 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.8 p-10 -49.94 -27.92 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -51.56 -28.56 14.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -123.81 32.18 5.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.7 mt -86.91 141.22 28.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.545 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -102.49 155.66 18.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -118.99 128.09 54.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.6 t -82.46 139.16 34.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -91.27 45.66 1.26 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.64 -38.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 p -124.97 -3.1 7.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.5 t70 51.77 57.16 6.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -103.03 -179.77 4.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.505 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -123.52 122.24 37.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.526 ' HB3' HD21 ' A' ' 46' ' ' LEU . 83.1 m-85 -138.92 133.82 32.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -79.2 179.46 7.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.665 HD13 ' HA ' ' A' ' 52' ' ' GLU . 32.9 pt -95.16 -14.18 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -113.24 14.53 19.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.9 m -111.32 -23.98 10.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 41' ' ' TYR . 12.6 mt -70.49 -169.44 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.439 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.47 105.61 0.42 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.61 0.719 . . . . 0.0 110.953 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.8 Cg_endo -69.79 148.28 86.45 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.319 -0.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 172.2 13.02 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.7 mt -115.34 159.78 36.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.717 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -41.17 4.58 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.709 2.273 . . . . 0.0 112.362 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.665 ' HA ' HD13 ' A' ' 43' ' ' ILE . 11.2 pt-20 -173.01 -179.13 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.404 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.4 mm -51.53 131.44 35.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.636 0.732 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.545 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.4 Cg_endo -69.83 171.89 13.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -95.04 -74.95 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.48 -145.56 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 88.6 mt -80.39 131.38 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.423 ' CG ' HD23 ' A' ' 32' ' ' LEU . 75.4 t90 -118.05 140.21 50.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.61 160.28 22.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.525 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -95.56 158.76 33.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.649 0.738 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.4 Cg_endo -69.81 -24.16 29.74 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.319 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -70.58 -18.93 62.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.9 m -102.97 -41.92 5.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.7 mt -66.68 -45.35 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.6 mt -65.47 -16.99 64.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.71 -48.19 6.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -27.83 65.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.8 t -75.18 92.38 2.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.7 mttt 58.19 -176.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -170.03 156.64 5.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.532 0.682 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 164.63 33.85 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.704 2.269 . . . . 0.0 112.351 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 83.63 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.673 2.248 . . . . 0.0 112.392 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.53 35.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -146.59 128.21 15.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -144.42 101.48 3.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.71 135.94 7.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.523 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -94.01 121.33 35.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.97 114.93 8.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -169.8 -45.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.09 -26.06 63.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 58.29 42.55 21.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -59.37 174.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 60.26 -179.35 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 60.41 173.9 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.8 m -99.29 149.13 23.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tp -161.49 152.1 17.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 94.0 p -171.84 142.62 1.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -130.14 159.95 22.83 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 148.92 66.18 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.686 2.258 . . . . 0.0 112.346 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -99.53 58.54 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.5 176.48 6.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.494 -179.945 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.4 173.36 7.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 m -97.96 163.53 12.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.21 149.03 17.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 m -125.48 -38.81 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.864 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -129.69 141.26 50.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.48 112.21 1.24 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -108.56 70.19 0.74 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.813 0.34 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.96 109.13 21.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.42 110.97 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.5 111.83 20.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.6 155.45 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -154.38 -170.06 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.6 mt -143.82 112.87 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -142.8 32.99 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 m -93.99 -171.54 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -131.15 112.9 13.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.6 mm -116.35 129.02 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 t -51.98 154.2 2.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -108.01 22.21 16.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -131.38 -42.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.3 -17.02 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 m 63.88 63.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.8 mmt85 -123.72 -179.95 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.46 -40.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.24 -22.54 61.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -83.61 -0.12 49.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.446 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.7 p-10 -49.97 -27.95 6.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -28.66 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -123.81 32.25 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.66 140.3 29.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.544 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.7 mp -101.48 155.73 17.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -118.76 128.84 54.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.7 t -82.78 139.18 33.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -91.33 45.69 1.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.7 -39.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.478 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.23 -2.78 7.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.7 t0 51.71 56.99 7.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -102.29 -179.77 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.506 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -123.33 122.31 38.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.489 ' HB3' HD21 ' A' ' 46' ' ' LEU . 82.0 m-85 -139.47 132.77 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -78.12 -179.44 6.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.633 HD13 ' HA ' ' A' ' 52' ' ' GLU . 42.0 pt -95.54 -16.71 7.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -110.47 14.33 22.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.7 m -111.36 -23.74 10.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 41' ' ' TYR . 10.9 mt -70.3 -169.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.41 105.62 0.43 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.632 0.73 . . . . 0.0 110.869 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.447 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.8 Cg_endo -69.74 148.3 86.4 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.667 -1.806 . . . . 0.0 112.358 -0.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.35 19.13 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.2 mt -113.12 159.48 34.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.637 0.732 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -39.95 5.84 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.65 2.234 . . . . 0.0 112.361 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.633 ' HA ' HD13 ' A' ' 43' ' ' ILE . 4.9 pt-20 -173.26 -179.15 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.406 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.4 mm -51.49 131.48 35.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.728 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.544 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.4 Cg_endo -69.76 171.87 13.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.66 -74.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.17 -144.12 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.9 mt -82.72 131.12 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 111.101 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.429 ' CG ' HD23 ' A' ' 32' ' ' LEU . 75.1 t90 -117.54 140.09 50.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.46 160.3 21.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.522 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.36 158.67 34.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.522 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.9 Cg_endo -69.74 -24.38 29.84 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -70.5 -18.73 62.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 19.6 m -103.06 -42.16 5.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.3 mt -66.5 -45.38 89.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.18 -16.83 63.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.32 -37.0 11.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -78.9 -26.78 43.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.1 t -52.33 -29.96 26.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -56.77 176.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.403 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 9.3 mt-30 64.37 154.11 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.618 0.723 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 70' ' ' GLN . 53.4 Cg_endo -69.75 168.68 20.85 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 79.46 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.308 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -173.45 37.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -167.41 41.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.071 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -116.25 -58.75 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.5 -95.59 0.16 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -98.97 130.09 45.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -96.99 158.59 15.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -101.9 40.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 62.33 94.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.9 t -65.19 152.14 44.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -149.43 84.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -140.73 54.16 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 55.67 90.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.925 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.0 p -85.01 94.13 8.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.4 mt -79.38 169.65 17.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.5 m -98.31 -69.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.57 165.08 30.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -18.52 37.38 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.39 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.1 m 58.08 74.67 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.71 142.4 32.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.469 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 p -153.93 126.29 7.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.359 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.49 139.01 3.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.93 168.9 31.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.4 p -169.56 149.42 3.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -150.11 172.12 15.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.81 127.59 1.75 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -175.72 93.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.11 148.0 43.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.08 169.22 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.75 -53.12 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 56.87 -172.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -160.72 150.7 17.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 mp -93.28 108.22 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.4 34.89 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 m -137.12 -177.54 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -129.08 113.63 15.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.7 mm -116.28 131.58 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.6 t -54.74 153.73 5.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -107.43 22.86 15.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -132.45 -42.37 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.59 -16.76 11.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m 63.77 63.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -124.82 175.74 7.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -136.9 -38.23 0.16 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -22.36 61.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.742 0.306 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -85.08 -0.32 54.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.47 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.1 p-10 -50.51 -27.94 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.28 -29.04 13.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -124.23 32.82 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.502 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.4 mt -86.17 143.34 28.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.611 HD21 ' HD3' ' A' ' 54' ' ' PRO . 7.8 mp -103.92 149.91 24.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -113.82 131.63 56.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.6 t -87.54 138.42 31.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -91.1 46.14 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.01 -39.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.521 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.9 p -125.76 -2.23 7.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 110.823 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 47.5 t0 51.69 56.14 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -102.25 -179.77 4.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.502 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.3 m120 -125.42 122.29 36.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -137.63 135.8 36.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -81.53 170.81 15.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.748 HD13 ' HA ' ' A' ' 52' ' ' GLU . 9.9 pt -89.96 -0.5 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -127.76 16.11 6.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.5 m -113.13 -24.51 9.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 mt -71.05 -169.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.61 105.51 0.46 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.613 0.721 . . . . 0.0 110.923 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 54.0 Cg_endo -69.73 148.28 86.32 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.337 -0.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 178.45 4.54 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.488 HD11 ' HE1' ' A' ' 58' ' ' TRP . 42.0 mt -118.58 157.78 48.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.616 0.722 . . . . 0.0 110.945 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -44.36 2.11 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.383 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.748 ' HA ' HD13 ' A' ' 43' ' ' ILE . 6.4 pt-20 -169.85 176.66 4.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.564 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.7 mm -51.51 131.4 35.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.679 0.752 . . . . 0.0 111.148 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.611 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.72 173.5 10.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -96.97 -74.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.05 -144.53 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.4 mt -81.99 130.87 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.488 ' HE1' HD11 ' A' ' 50' ' ' LEU . 75.1 t90 -117.37 140.13 49.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.41 160.27 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.528 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.6 p -96.41 158.84 33.18 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.685 0.755 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.528 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.6 Cg_endo -69.78 -23.47 30.68 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -19.76 62.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 28.6 m -102.65 -41.34 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.0 mt -66.84 -45.26 88.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.8 mt -66.09 -17.01 64.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.51 -49.35 6.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -70.08 -31.03 68.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.34 179.44 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 58.04 -178.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -78.44 154.92 79.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 162.07 43.52 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.715 2.276 . . . . 0.0 112.317 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 79.07 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -167.22 29.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.58 128.26 21.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.072 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -88.95 -38.6 14.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.94 139.78 2.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.463 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -139.76 133.79 30.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -115.41 34.6 4.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -115.04 135.95 53.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -170.31 115.03 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.2 p -83.48 84.03 7.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.72 64.08 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -110.97 42.09 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -94.49 -31.92 13.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.2 t -89.58 122.95 33.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.1 tp -90.12 134.05 34.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.89 128.64 33.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -154.68 67.19 0.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.447 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 107.14 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.629 2.219 . . . . 0.0 112.323 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.21 97.89 6.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.8 m 57.34 46.07 19.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.493 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 52.58 32.64 12.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 0.0 110.812 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -67.4 176.65 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.64 107.38 0.29 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 p -126.07 100.9 6.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.918 0.389 . . . . 0.0 110.846 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.06 177.76 8.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.18 146.37 5.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.488 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -133.02 148.6 52.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.74 -179.61 3.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.827 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 t -99.86 -176.89 3.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.01 132.14 34.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -168.45 179.87 4.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -165.44 124.79 1.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.0 mp -105.53 134.71 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -92.92 50.38 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.03 -179.11 6.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -117.16 112.94 21.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.2 mm -116.18 129.04 73.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.4 t -52.01 154.54 2.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -108.24 21.93 16.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.1 t -131.18 -42.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -115.24 -17.05 11.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 m 63.86 63.4 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -123.59 179.98 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.39 -40.2 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -22.61 61.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.324 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -83.7 -0.26 50.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.466 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.9 p-10 -50.05 -28.09 6.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -51.54 -28.72 14.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -123.85 32.47 5.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.9 140.86 29.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.562 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.4 mp -101.81 152.86 20.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -116.51 129.64 56.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 t -84.13 139.05 32.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -91.18 45.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.63 -39.12 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -125.47 -2.45 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.0 t0 51.65 56.47 7.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.809 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -101.43 -179.83 4.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.505 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.2 m120 -124.49 122.27 37.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.582 ' HB3' HD21 ' A' ' 46' ' ' LEU . 85.8 m-85 -139.0 133.69 32.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -79.4 176.43 9.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.659 HD13 ' HA ' ' A' ' 52' ' ' GLU . 33.9 pt -92.73 -10.67 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -117.94 17.88 14.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.9 m -114.25 -23.8 9.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.582 HD21 ' HB3' ' A' ' 41' ' ' TYR . 11.8 mt -71.85 -169.33 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.442 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.01 105.44 0.44 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.62 0.724 . . . . 0.0 110.936 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.6 Cg_endo -69.76 148.25 86.34 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.361 -0.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 176.31 6.94 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.694 2.263 . . . . 0.0 112.377 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.84 158.42 45.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -41.95 3.9 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.329 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.659 ' HA ' HD13 ' A' ' 43' ' ' ILE . 3.6 pt-20 -171.95 178.57 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.454 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.8 mm -51.41 131.42 34.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.562 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.0 Cg_endo -69.73 171.45 14.41 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.37 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -95.67 -73.64 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.15 -144.27 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.448 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 91.2 mt -82.71 131.05 34.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.43 ' CG ' HD23 ' A' ' 32' ' ' LEU . 74.6 t90 -117.69 140.42 49.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.81 160.13 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.53 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.6 p -95.35 158.77 34.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.53 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.0 Cg_endo -69.73 -24.61 29.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -70.44 -18.79 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.3 m -102.82 -42.39 5.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.3 mt -66.4 -45.24 89.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.8 mt -66.16 -17.29 64.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.06 -48.54 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.056 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -29.33 67.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 40.7 t -55.49 -66.22 0.45 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -77.18 79.45 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.48 158.64 56.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.624 0.726 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 165.03 32.32 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.719 2.28 . . . . 0.0 112.337 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 83.7 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.313 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -175.32 35.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.56 65.93 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -147.05 123.4 10.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.45 122.92 5.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -91.74 -33.07 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 59.84 81.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -166.7 -55.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 59.34 179.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.8 m 59.63 96.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.44 118.43 6.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -81.26 128.1 33.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.96 104.82 7.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 86.4 p -77.33 135.68 38.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.1 tp -74.76 134.57 41.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.994 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.2 m -105.8 134.67 48.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -130.04 -165.8 11.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.536 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 121.1 7.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 t -146.62 -62.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 p -124.16 137.13 54.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.498 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -170.25 101.86 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 110.898 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.91 170.27 9.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.7 -63.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.522 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.51 125.8 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 0.0 110.844 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 p -171.33 128.05 0.68 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.45 -127.94 2.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -140.69 138.13 34.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.3 m -128.04 95.14 4.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.4 t -56.62 126.74 28.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.86 -175.26 4.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.39 124.11 51.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.22 98.83 10.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.8 mt -67.42 117.99 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -143.73 74.87 1.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.84 173.53 12.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -125.23 111.44 15.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.3 mm -114.11 132.77 62.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.4 t -56.0 153.78 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -107.18 22.67 15.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.3 t -132.46 -42.77 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -115.1 -16.82 11.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m 63.77 63.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -125.05 174.89 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.96 -37.99 0.18 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.36 -22.29 61.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -85.25 -0.44 54.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.474 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.1 p-10 -50.37 -28.05 7.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.26 -28.94 13.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mttp -124.26 32.82 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.3 mt -86.36 143.83 27.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.598 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.0 mp -104.29 150.22 24.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -115.15 130.11 56.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.3 t -85.0 140.16 31.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -91.32 46.08 1.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.03 -43.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.1 p -118.02 -14.08 9.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.795 0.331 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.9 t0 63.62 48.85 3.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -96.12 -179.35 4.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.505 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.3 m120 -125.28 122.25 36.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -137.23 135.77 37.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -81.31 171.99 14.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.75 HD13 ' HA ' ' A' ' 52' ' ' GLU . 10.0 pt -91.12 -0.17 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -127.94 15.6 6.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.4 m -112.46 -24.66 9.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.03 -169.33 0.35 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.453 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.8 105.47 0.45 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.617 0.723 . . . . 0.0 110.902 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.8 Cg_endo -69.76 148.24 86.32 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.323 -0.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -179.5 2.95 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.473 HD11 ' HE1' ' A' ' 58' ' ' TRP . 46.5 mt -120.88 157.7 54.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -44.54 2.02 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.75 ' HA ' HD13 ' A' ' 43' ' ' ILE . 17.9 pt-20 -169.49 176.74 4.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.557 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.4 mm -51.53 131.44 35.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 111.125 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.598 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.82 171.15 15.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.258 . . . . 0.0 112.345 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -95.88 -72.36 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.27 -143.26 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 88.6 mt -84.35 131.46 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.159 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.473 ' HE1' HD11 ' A' ' 50' ' ' LEU . 76.3 t90 -118.21 141.0 48.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.89 160.32 22.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.529 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -96.49 158.93 32.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.529 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.0 Cg_endo -69.77 -23.79 30.36 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.73 2.287 . . . . 0.0 112.328 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -70.7 -19.29 62.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 26.5 m -102.86 -41.55 6.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.2 mt -66.92 -45.31 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.98 -17.36 64.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.12 -44.02 9.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.45 -28.2 61.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.4 t -52.0 -34.88 44.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -74.23 113.32 11.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.19 161.86 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.663 0.744 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 161.56 45.46 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 79.65 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -171.69 35.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -149.98 100.51 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.063 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -98.15 -35.66 10.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.46 67.36 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.96 166.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.82 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -135.18 108.6 7.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -132.5 143.43 49.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 56.92 -175.79 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.4 m -154.73 -52.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.01 167.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.52 110.29 22.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -81.86 75.43 8.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.8 m -153.46 61.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 61.31 99.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.45 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.427 ' N ' ' HD2' ' A' ' 89' ' ' PRO . . . -58.55 -62.46 6.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 54.0 Cg_endo -69.78 -17.09 37.69 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.636 2.224 . . . . 0.0 112.37 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.67 100.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.37 42.94 24.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.496 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 p -151.67 -74.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 0.0 110.859 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t -118.08 123.56 45.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.24 157.15 10.87 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.514 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.58 -175.83 3.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.908 0.385 . . . . 0.0 110.815 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.09 92.3 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.916 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.84 120.33 5.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.517 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -84.54 169.75 14.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 m -99.51 47.83 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -118.66 100.27 7.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.06 144.15 31.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -148.69 147.83 29.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -148.26 119.45 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.6 mp -105.47 150.59 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.56 52.55 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.91 174.12 6.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -117.85 112.88 20.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.2 mm -116.4 128.96 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 t -51.92 154.29 2.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -108.07 22.17 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.5 t -131.5 -42.52 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.35 -17.13 11.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 m 63.94 63.4 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -123.71 -179.97 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.44 -40.48 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -22.51 60.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -83.59 -0.25 49.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.443 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.8 p-10 -49.96 -27.88 6.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.52 -28.6 14.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -123.88 32.15 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.57 140.67 29.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.543 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -101.84 155.75 17.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -118.76 128.85 54.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.8 t -83.0 139.03 33.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -91.31 45.81 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.72 -38.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.35 -2.57 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 t0 51.48 57.22 6.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -102.65 -179.87 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.505 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -123.32 122.26 37.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.515 ' HB3' HD21 ' A' ' 46' ' ' LEU . 82.7 m-85 -139.27 132.84 30.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -78.18 -179.28 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.637 HD13 ' HA ' ' A' ' 52' ' ' GLU . 41.1 pt -95.7 -16.57 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -110.68 14.37 22.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.4 m -111.39 -23.91 10.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.515 HD21 ' HB3' ' A' ' 41' ' ' TYR . 12.0 mt -70.17 -169.35 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.442 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.47 105.56 0.42 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.637 0.732 . . . . 0.0 110.953 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 54.0 Cg_endo -69.73 148.3 86.36 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.38 -0.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 169.35 19.2 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.8 mt -112.92 159.52 34.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -40.12 5.67 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.315 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.637 ' HA ' HD13 ' A' ' 43' ' ' ILE . 3.2 pt-20 -173.27 -179.17 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.402 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.4 mm -51.47 131.46 34.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.543 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.78 172.08 13.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.303 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.63 -74.7 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.05 -145.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.438 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.9 mt -81.48 130.9 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.428 ' CG ' HD23 ' A' ' 32' ' ' LEU . 74.1 t90 -117.39 140.01 50.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.26 160.22 22.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.524 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.35 158.69 34.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.592 0.711 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.524 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.0 Cg_endo -69.76 -24.1 30.06 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -70.66 -18.9 62.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.5 m -103.11 -41.76 5.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.5 mt -66.88 -45.09 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.169 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.3 mt -65.89 -16.95 64.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.27 -40.27 10.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -77.18 -26.16 52.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.4 t -51.9 -41.62 62.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.19 137.72 49.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -142.68 155.02 63.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.656 0.741 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 164.47 34.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 81.22 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -177.62 35.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.88 123.68 4.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -115.55 177.86 4.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.21 133.92 6.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -161.81 146.21 12.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -151.64 149.35 29.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -141.37 126.89 18.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -148.65 27.12 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.3 t -149.22 152.19 35.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.17 -34.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 61.55 173.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -81.14 -44.1 18.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.6 t 56.83 47.59 17.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.8 137.58 40.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.7 m -97.72 -29.29 13.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 56.37 64.81 4.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -44.17 2.25 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.695 2.263 . . . . 0.0 112.381 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.21 32.85 22.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.07 119.0 16.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.536 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.25 172.19 15.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 m -158.12 131.42 7.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.29 -154.91 13.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -130.91 132.42 45.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.35 . . . . 0.0 110.88 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 p -104.8 168.91 8.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.2 139.31 10.87 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.512 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 62.19 -173.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.9 p -143.33 -55.3 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.0 142.29 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.02 80.63 1.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -119.01 158.9 24.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -154.73 103.78 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mp -92.02 91.18 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -105.56 54.98 0.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.0 m -141.6 -178.25 5.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -132.35 112.98 12.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.4 mm -116.05 128.83 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 t -51.96 154.31 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -108.07 22.2 16.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.9 t -131.33 -42.76 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.26 -17.04 11.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m 63.94 63.36 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -123.18 179.94 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.36 -41.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.447 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.09 -22.57 61.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -83.23 -0.09 47.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.447 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.6 p-10 -50.09 -27.65 5.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -28.85 12.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.7 mttp -123.85 32.69 5.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.515 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.7 mt -87.33 138.49 31.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.547 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.7 mp -99.48 155.9 17.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -118.93 128.85 54.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.8 t -82.7 139.31 33.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -91.43 45.58 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.58 -38.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.26 -2.66 7.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.363 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.7 t0 51.64 56.98 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -102.3 -179.75 4.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.515 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -123.35 122.24 37.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.433 ' HB3' HD21 ' A' ' 46' ' ' LEU . 82.0 m-85 -139.39 132.66 29.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -78.13 179.98 6.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.621 HD13 ' HA ' ' A' ' 52' ' ' GLU . 43.9 pt -94.62 -17.25 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -110.21 14.56 22.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.7 m -111.6 -23.89 10.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.433 HD21 ' HB3' ' A' ' 41' ' ' TYR . 9.6 mt -70.21 -169.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.446 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.41 105.61 0.43 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.653 0.739 . . . . 0.0 110.898 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.8 Cg_endo -69.79 148.27 86.43 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.339 -0.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 169.56 18.57 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.685 2.257 . . . . 0.0 112.355 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.8 mt -113.47 159.5 35.1 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.634 0.73 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -39.8 6.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.621 ' HA ' HD13 ' A' ' 43' ' ' ILE . 3.7 pt-20 -173.4 -179.1 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.406 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.5 mm -51.42 131.43 34.32 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.547 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.77 171.99 13.47 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.715 2.277 . . . . 0.0 112.316 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.6 -74.48 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.09 -144.57 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.8 mt -82.02 131.03 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.143 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.427 ' CG ' HD23 ' A' ' 32' ' ' LEU . 75.2 t90 -117.49 139.97 50.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.23 160.26 21.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.524 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.39 158.68 34.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.609 0.719 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.524 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.2 Cg_endo -69.72 -24.28 30.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.44 -18.93 63.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.8 m -103.04 -42.0 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.6 mt -66.64 -45.26 88.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.47 -16.95 64.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.73 -45.39 8.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -73.89 -26.9 60.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.1 -62.08 1.88 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.71 103.7 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -138.66 155.25 73.53 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.542 0.686 . . . . 0.0 110.943 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.08 25.5 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 80.52 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -173.11 31.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -142.58 26.71 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.096 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 58.68 177.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.92 90.85 0.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -125.75 176.44 6.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.2 165.69 35.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -110.98 77.04 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -113.06 122.31 47.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.3 t -70.48 155.98 39.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -146.19 -74.81 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 57.69 93.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -139.07 96.05 3.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.86 147.65 27.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 32.9 mt -58.36 114.77 2.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.48 39.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 160.62 -166.9 35.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 164.95 32.7 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.361 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.1 m -84.52 -51.2 7.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.5 m 61.26 48.17 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.5 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.424 -0.27 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.85 -43.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 t 58.09 28.9 17.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.24 85.65 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.4 129.1 35.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.878 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -179.31 159.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.21 161.66 9.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.97 155.61 20.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 m -153.95 43.64 0.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.35 135.25 15.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.92 104.64 4.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -100.23 153.19 19.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -157.3 116.34 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.6 mp -107.62 150.5 10.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.59 26.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.77 145.62 48.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -121.06 113.53 20.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.0 mm -117.75 128.02 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.3 t -52.0 150.92 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -105.34 22.65 15.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.7 t -130.68 -42.77 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.0 p -115.81 -16.58 11.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m 63.82 63.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -123.78 -179.97 4.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.71 -40.53 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -22.58 61.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -83.44 -0.22 49.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.45 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.8 p-10 -49.94 -27.84 5.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.65 -28.36 14.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -123.88 31.8 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.51 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.35 140.98 29.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.543 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.7 mp -102.2 155.83 17.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -118.67 129.03 55.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.0 t -83.45 138.98 33.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -91.22 45.76 1.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.55 -39.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.1 p -125.19 -2.82 7.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.322 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 51.74 56.8 7.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -102.52 -179.7 4.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.51 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -123.46 122.27 37.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.5 ' HB3' HD21 ' A' ' 46' ' ' LEU . 83.1 m-85 -139.22 132.76 30.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.6 m170 -77.77 -178.44 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.638 HD13 ' HA ' ' A' ' 52' ' ' GLU . 40.1 pt -96.9 -16.52 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -110.36 13.64 22.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.5 m -110.86 -24.38 10.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 41' ' ' TYR . 12.2 mt -69.33 -169.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.446 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.47 105.67 0.42 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.639 0.733 . . . . 0.0 110.893 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.7 Cg_endo -69.75 148.28 86.38 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.72 -1.783 . . . . 0.0 112.354 -0.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.63 21.02 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.2 mt -112.39 159.42 34.05 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.66 0.743 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -40.31 5.52 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.734 2.289 . . . . 0.0 112.334 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.638 ' HA ' HD13 ' A' ' 43' ' ' ILE . 8.3 pt-20 -172.94 -179.19 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.405 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.4 mm -51.48 131.41 34.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.543 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.71 172.19 13.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -95.65 -74.83 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.1 -145.57 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.7 mt -80.85 130.7 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.123 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.421 ' CG ' HD23 ' A' ' 32' ' ' LEU . 74.2 t90 -117.33 139.91 50.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.01 160.25 21.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.522 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -95.39 158.63 34.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.671 0.748 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.522 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.7 Cg_endo -69.72 -24.16 30.18 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.337 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -18.82 62.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.9 m -103.14 -41.91 5.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.7 mt -66.84 -45.17 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.76 -17.04 64.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.66 -45.33 9.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -72.61 -31.49 65.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.6 t -64.87 -65.91 0.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -78.31 132.72 37.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.26 154.48 29.74 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 160.37 49.96 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 78.59 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.663 2.242 . . . . 0.0 112.361 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -179.3 34.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -164.19 82.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -66.57 -45.18 80.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 111.32 172.17 19.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.72 -31.91 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.34 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -100.12 112.14 24.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.01 -51.63 7.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 63.76 166.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.72 -67.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.5 93.92 9.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.82 99.31 5.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -101.78 134.28 45.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.0 m -152.86 -55.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -166.61 49.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.35 157.31 29.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -162.82 158.78 31.1 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.443 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 129.49 17.68 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.258 . . . . 0.0 112.363 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.64 167.86 20.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 p -135.46 147.69 49.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.493 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m -110.73 174.04 6.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.9 0.381 . . . . 0.0 110.845 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -167.82 145.3 4.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.58 93.4 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.7 p -142.95 -178.82 6.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.85 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.38 145.65 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.21 171.76 22.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.24 174.03 7.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.34 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.63 106.94 13.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 p -112.65 126.88 55.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.96 125.52 50.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -171.14 170.13 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -156.34 137.34 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.8 mp -102.77 112.26 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -113.69 58.57 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.821 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -168.73 175.95 5.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -119.67 112.74 19.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.6 mm -116.6 129.02 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.18 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.4 t -52.38 154.11 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -107.87 22.39 16.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.5 t -131.77 -42.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.54 -16.95 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m 63.89 63.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -124.36 177.17 6.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.88 -39.44 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -59.26 -22.37 61.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -84.35 -0.14 51.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.466 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.9 p-10 -50.12 -28.01 6.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -28.42 14.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -123.9 31.96 5.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.45 143.44 27.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.59 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.5 mp -104.95 152.66 22.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -115.96 129.74 56.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.0 t -84.79 139.17 32.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -91.39 45.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.13 -39.13 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.3 p -125.14 -2.85 7.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.0 t0 51.7 56.25 8.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -102.33 -179.58 4.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.501 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -124.23 122.31 37.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.55 ' HB3' HD21 ' A' ' 46' ' ' LEU . 78.3 m-85 -138.33 134.3 34.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -79.94 175.74 10.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.721 HD13 ' HA ' ' A' ' 52' ' ' GLU . 13.4 pt -93.22 -7.35 10.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -120.93 16.83 11.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.0 m -113.31 -23.76 9.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.55 HD21 ' HB3' ' A' ' 41' ' ' TYR . 10.2 mt -72.17 -169.46 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.06 105.55 0.44 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.718 . . . . 0.0 110.918 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.8 Cg_endo -69.75 148.25 86.31 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.355 -0.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -177.96 2.11 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.312 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.3 mt -124.05 159.37 56.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -43.55 2.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.721 ' HA ' HD13 ' A' ' 43' ' ' ILE . 14.9 pt-20 -171.45 179.91 2.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.474 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.1 mm -51.56 131.42 35.69 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.59 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.1 Cg_endo -69.8 173.1 11.5 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -96.13 -74.92 0.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.36 -145.17 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 91.1 mt -80.86 131.13 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.813 0.34 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.437 ' CD2' HD23 ' A' ' 32' ' ' LEU . 75.4 t90 -117.84 140.3 49.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.74 160.28 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.525 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.4 p -95.99 158.67 33.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.3 Cg_endo -69.74 -24.0 30.27 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.256 . . . . 0.0 112.363 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -19.21 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.8 m -102.72 -42.06 6.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.8 mt -66.56 -45.41 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.1 mt -66.01 -17.26 64.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.16 -47.35 8.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -70.45 -36.74 74.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 39.5 t -60.4 -70.08 0.19 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -58.43 104.61 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.29 161.77 0.12 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.583 0.706 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 159.66 52.61 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 76.32 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.338 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.52 25.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.82 24.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.56 157.18 44.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -173.75 38.57 0.13 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 61.11 174.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -56.95 105.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -135.92 140.56 44.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.58 102.03 7.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.2 t -98.67 -25.99 14.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -30.2 58.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.37 154.43 45.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -138.96 151.69 47.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.6 p -164.37 121.11 1.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 pp -69.89 -28.82 65.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 t -80.9 172.0 14.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.42 -177.06 22.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.514 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -47.66 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.735 2.29 . . . . 0.0 112.319 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m 58.89 43.52 17.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.99 -37.82 16.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.89 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.449 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 m -81.65 -62.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.878 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 p -107.62 67.3 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.23 41.73 0.79 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 t -171.02 -60.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.92 0.391 . . . . 0.0 110.877 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 m 59.58 73.66 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.813 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.07 -140.99 0.45 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.64 155.61 39.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.755 0.312 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.2 p -152.07 79.69 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.97 137.43 32.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -163.97 45.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -72.78 128.98 37.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -149.37 138.19 21.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.656 HG22 ' H ' ' A' ' 16' ' ' SER . 53.1 mt -99.88 147.75 7.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.12 28.36 3.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.656 ' H ' HG22 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -128.95 -171.54 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.8 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -118.14 111.27 18.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.6 mm -114.27 131.76 65.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.1 t -55.23 153.87 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -107.34 22.61 15.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.6 t -132.2 -42.66 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -115.45 -16.62 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m 63.81 63.31 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -124.97 174.57 7.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.71 -38.08 0.18 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.432 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -59.4 -22.24 61.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.815 0.341 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -85.47 -0.34 54.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.474 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.0 p-10 -50.38 -27.8 6.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.2 -29.02 12.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -124.16 32.55 5.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.3 mt -86.0 144.05 27.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.599 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.1 mp -104.79 150.72 24.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -115.37 130.5 56.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.9 t -85.23 140.4 30.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -91.44 45.7 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.72 -43.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.0 p -117.94 -14.19 10.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.9 t0 63.55 48.77 3.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -96.48 -179.2 4.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.512 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.2 m120 -124.92 122.32 37.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.536 ' HB3' HD21 ' A' ' 46' ' ' LEU . 90.6 m-85 -137.0 135.86 37.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -81.24 171.95 14.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.733 HD13 ' HA ' ' A' ' 52' ' ' GLU . 11.5 pt -90.65 -4.27 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -123.63 14.63 9.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.2 m -111.32 -24.01 10.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 41' ' ' TYR . 10.1 mt -71.57 -169.42 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.0 105.45 0.44 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.654 0.74 . . . . 0.0 110.968 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.4 Cg_endo -69.83 148.28 86.56 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.326 -0.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -179.19 2.72 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.354 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.426 HD11 ' HE1' ' A' ' 58' ' ' TRP . 39.1 mt -121.97 158.39 55.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.631 0.729 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -44.05 2.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.733 ' HA ' HD13 ' A' ' 43' ' ' ILE . 2.1 pt-20 -170.26 177.93 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.545 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.4 mm -51.52 131.38 35.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.584 0.707 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.599 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.2 Cg_endo -69.75 171.77 13.86 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.665 2.244 . . . . 0.0 112.327 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -96.21 -72.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.25 -143.49 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.493 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.3 mt -84.04 131.21 34.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.454 ' CD2' HD23 ' A' ' 32' ' ' LEU . 75.8 t90 -117.98 140.96 48.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.78 160.31 22.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.529 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 11.9 p -96.58 158.9 32.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.529 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.6 Cg_endo -69.71 -23.65 30.8 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.676 2.25 . . . . 0.0 112.333 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -70.53 -19.59 62.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 33.3 m -102.89 -41.43 6.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.1 mt -66.68 -45.24 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 53.3 mt -65.43 -17.11 64.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.63 -34.0 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -81.52 -28.95 33.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.92 -35.24 58.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -56.55 129.67 41.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -65.31 154.87 86.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.588 0.708 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 161.4 46.06 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.697 2.264 . . . . 0.0 112.362 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 78.74 0.98 Allowed 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.722 2.282 . . . . 0.0 112.323 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.2 37.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -122.21 175.4 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -160.64 -178.71 7.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.19 -159.38 21.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -88.34 -32.31 18.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 63.03 40.7 8.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -120.94 48.62 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.12 109.83 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.0 -33.73 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -57.65 -33.53 68.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -131.12 111.72 12.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -67.51 140.76 57.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.16 115.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 tp -167.29 81.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.2 p -170.12 137.59 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 146.33 158.02 7.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.474 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -44.39 2.11 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.648 2.232 . . . . 0.0 112.376 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.16 -55.47 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.1 t 56.31 42.35 27.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.466 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.28 167.09 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.841 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.71 -46.1 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.41 117.2 0.81 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 t -69.8 148.23 49.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -107.03 138.84 42.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.821 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.14 -179.29 42.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -94.56 102.96 14.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 t -172.18 117.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.0 p -124.57 133.81 53.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.807 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -122.67 30.4 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.083 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -120.89 167.73 12.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -116.12 122.94 46.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.9 mm -95.12 150.62 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.53 64.36 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 t 58.76 -178.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -124.06 114.25 19.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.3 mm -116.97 129.2 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.9 t -52.16 154.41 2.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -108.15 22.07 16.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.2 t -131.38 -42.59 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.28 -17.09 11.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.88 63.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -123.8 179.99 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.4 -40.41 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -22.55 61.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.738 0.304 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -83.61 -0.14 49.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.44 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.8 p-10 -49.94 -27.95 6.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -51.5 -28.54 13.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -123.91 32.12 5.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.62 140.28 30.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.548 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -101.5 155.69 17.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -118.91 128.8 54.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.7 t -83.14 139.24 33.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -91.37 45.6 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.37 -38.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.0 p -125.26 -2.65 7.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t0 51.53 56.82 7.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -102.45 -179.72 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.507 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.4 m120 -123.43 122.38 38.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.517 ' HB3' HD21 ' A' ' 46' ' ' LEU . 83.2 m-85 -139.28 132.8 30.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -78.21 -179.35 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.819 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.635 HD13 ' HA ' ' A' ' 52' ' ' GLU . 41.4 pt -95.71 -16.24 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -111.07 14.58 21.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.2 m -111.58 -23.91 10.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.517 HD21 ' HB3' ' A' ' 41' ' ' TYR . 12.0 mt -70.15 -169.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.438 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.3 105.57 0.43 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.552 0.691 . . . . 0.0 110.936 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 54.0 Cg_endo -69.72 148.31 86.38 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.339 -0.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 169.53 18.81 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.656 2.237 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.0 mt -112.93 159.48 34.38 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -40.03 5.7 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.292 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.635 ' HA ' HD13 ' A' ' 43' ' ' ILE . 12.0 pt-20 -173.38 -179.24 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.406 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.5 mm -51.48 131.47 34.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.664 0.745 . . . . 0.0 111.133 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.548 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.79 172.18 13.13 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.239 . . . . 0.0 112.368 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.1 mtt85 -95.45 -74.78 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.54 -146.29 0.11 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.2 mt -79.83 130.59 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 111.132 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.424 ' CG ' HD23 ' A' ' 32' ' ' LEU . 74.4 t90 -117.31 139.75 50.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.96 160.21 21.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.525 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.3 158.73 34.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.711 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.7 Cg_endo -69.74 -24.27 29.95 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.691 2.26 . . . . 0.0 112.389 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -18.77 62.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.9 m -103.15 -41.95 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.7 mt -66.79 -45.28 88.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.68 -17.12 64.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.07 -44.97 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -73.33 -33.79 65.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.1 t -52.15 141.69 18.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.79 95.25 7.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -70.34 158.19 88.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.589 0.709 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 159.81 52.05 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.706 2.27 . . . . 0.0 112.314 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 76.65 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.258 . . . . 0.0 112.353 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -161.32 25.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -146.36 126.48 13.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -110.39 83.45 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -150.43 -118.5 0.87 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.532 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 57.89 66.59 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -106.01 60.36 0.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -124.33 106.56 10.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.97 103.89 15.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.81 104.73 4.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.24 171.79 8.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -93.63 168.89 10.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -157.49 104.07 1.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 m -58.72 117.46 4.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.834 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 58.92 178.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -73.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.04 -176.1 22.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -30.84 21.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.266 . . . . 0.0 112.31 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.4 t -135.69 158.73 43.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.0 t -62.12 109.88 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.453 -179.947 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -93.88 142.68 27.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.888 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 p -52.95 -62.56 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.64 -152.83 16.92 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.09 177.8 8.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.84 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.1 -71.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.77 174.03 20.05 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.452 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -118.73 162.25 18.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.795 0.331 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 p -133.33 135.52 44.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 m -97.98 112.83 24.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -144.13 33.03 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -131.54 128.56 39.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -157.46 136.94 12.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 mp -82.59 126.38 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -120.93 63.1 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.61 169.3 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -112.18 111.13 21.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.969 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.639 HG22 ' HA ' ' A' ' 23' ' ' SER . 24.9 mm -110.6 135.18 50.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.1 t -51.97 149.62 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -101.31 20.71 15.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.0 t -131.56 -42.12 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.6 p -116.35 -16.86 10.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.639 ' HA ' HG22 ' A' ' 18' ' ' ILE . 11.9 t 63.65 63.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -125.64 167.25 15.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -128.55 -35.56 0.49 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -22.27 61.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -88.5 -0.25 57.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.478 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.3 p-10 -50.28 -27.58 6.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.31 -28.98 13.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -124.16 32.28 5.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.1 mt -85.27 143.25 28.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.604 HD21 ' HD3' ' A' ' 54' ' ' PRO . 7.8 mp -104.0 149.78 24.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -114.08 131.75 56.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.2 t -87.36 138.54 31.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -91.31 45.9 1.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.9 -39.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 p -125.76 -2.06 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t0 51.64 55.94 8.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -101.23 -179.66 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.512 ' HB3' HD22 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -126.39 122.29 34.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -138.52 136.71 36.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 44.2 m170 -82.09 171.91 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.744 HD13 ' HA ' ' A' ' 52' ' ' GLU . 10.3 pt -90.29 -0.0 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -128.15 14.58 6.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.0 m -111.38 -24.72 10.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.8 mt -70.92 -169.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.8 105.5 0.45 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.598 0.713 . . . . 0.0 110.96 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 54.3 Cg_endo -69.74 148.35 86.49 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.314 -0.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 179.16 3.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.674 2.25 . . . . 0.0 112.334 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.47 HD11 ' HE1' ' A' ' 58' ' ' TRP . 43.0 mt -119.44 158.01 50.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -44.45 2.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.744 ' HA ' HD13 ' A' ' 43' ' ' ILE . 13.5 pt-20 -169.44 176.65 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.558 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.7 mm -51.64 131.49 36.46 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.666 0.746 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.604 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.4 Cg_endo -69.77 172.37 12.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.306 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -95.91 -74.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.98 -146.09 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.513 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.0 mt -80.12 130.63 35.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 111.121 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.47 ' HE1' HD11 ' A' ' 50' ' ' LEU . 74.1 t90 -117.29 139.76 50.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.84 160.25 21.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.527 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.0 p -96.25 158.87 33.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.616 0.722 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.527 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.0 Cg_endo -69.75 -23.75 30.47 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.358 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -70.4 -19.64 62.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 30.9 m -102.81 -41.61 6.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.4 mt -66.76 -45.02 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.9 mt -66.63 -17.24 64.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.79 -48.48 7.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -26.52 63.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 m -64.14 -55.16 23.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -117.2 110.04 17.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -122.85 159.13 54.93 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.603 0.716 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 167.47 24.34 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 2.262 . . . . 0.0 112.324 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 80.68 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.671 2.248 . . . . 0.0 112.336 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -177.76 37.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.3 111.04 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -164.02 130.01 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.0 117.99 1.36 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.32 117.48 27.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.888 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.78 102.96 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -92.1 55.04 2.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -129.98 29.95 4.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.083 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.97 -59.28 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -106.67 137.52 44.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.6 143.19 50.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -122.06 33.43 5.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.944 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.5 t 58.71 87.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 mt -78.35 -37.32 44.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 p -67.44 101.04 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.821 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -145.17 66.84 0.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 95.83 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.704 2.27 . . . . 0.0 112.352 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.0 m 56.9 40.42 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -35.64 60.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.441 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -119.64 145.11 46.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.906 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.33 99.81 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.22 98.77 0.11 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.455 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 p -66.76 179.15 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -136.58 134.23 37.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.72 59.5 0.36 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -112.67 128.63 56.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.337 . . . . 0.0 110.833 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.9 p -165.27 106.59 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -130.55 160.87 32.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.9 136.31 53.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -138.66 126.18 21.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -160.46 58.46 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.2 mt -89.73 125.36 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -156.76 63.0 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.5 159.38 41.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -131.94 111.26 11.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.948 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.511 HG22 ' HA ' ' A' ' 23' ' ' SER . 23.1 mm -113.51 131.77 64.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.8 t -51.86 150.52 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -103.04 21.64 15.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.1 t -131.84 -42.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.4 p -116.54 -12.04 11.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.511 ' HA ' HG22 ' A' ' 18' ' ' ILE . 28.4 t 58.71 63.78 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -125.65 168.96 13.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.79 -36.05 0.37 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -22.19 61.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -87.32 -0.3 56.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.473 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.3 p-10 -50.34 -27.52 6.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -51.37 -28.92 13.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -124.2 32.44 5.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.502 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.2 mt -85.53 143.66 28.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.6 HD21 ' HD3' ' A' ' 54' ' ' PRO . 7.8 mp -104.26 150.06 24.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -114.03 131.78 56.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.2 t -87.15 138.34 31.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -91.09 46.25 1.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.28 -39.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.3 p -126.04 -1.8 7.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t0 51.49 56.31 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -101.6 -179.78 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.829 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.502 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.1 m120 -125.89 122.33 35.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.473 ' HB3' HD21 ' A' ' 46' ' ' LEU . 86.0 m-85 -138.44 136.28 36.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -81.49 172.79 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.746 HD13 ' HA ' ' A' ' 52' ' ' GLU . 9.7 pt -91.9 -0.49 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -127.42 13.79 7.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.5 m -111.13 -24.28 10.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.473 HD21 ' HB3' ' A' ' 41' ' ' TYR . 8.7 mt -70.87 -169.42 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.423 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.88 105.53 0.45 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.622 0.725 . . . . 0.0 110.938 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.5 Cg_endo -69.78 148.33 86.53 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.303 -0.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 178.7 4.32 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.369 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.472 HD11 ' HE1' ' A' ' 58' ' ' TRP . 47.0 mt -119.25 157.98 49.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.608 0.718 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -44.84 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.746 ' HA ' HD13 ' A' ' 43' ' ' ILE . 13.0 pt-20 -169.38 176.63 5.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.558 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.5 mm -51.52 131.42 35.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 111.122 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.6 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.78 172.32 12.87 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.0 mtt85 -96.26 -73.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.14 -144.03 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.9 mt -83.06 131.07 34.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.127 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.472 ' HE1' HD11 ' A' ' 50' ' ' LEU . 75.3 t90 -117.49 140.16 49.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.4 160.31 21.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.528 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.7 p -96.26 158.84 33.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.528 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.6 Cg_endo -69.79 -23.85 30.2 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -19.51 62.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 23.1 m -102.55 -41.99 6.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mt -66.41 -45.47 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.6 mt -65.64 -16.93 64.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.27 -45.73 9.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.086 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -73.59 -32.39 64.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.3 t -52.56 139.12 26.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 mttp 53.95 71.0 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.0 154.75 40.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.46 18.84 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.256 . . . . 0.0 112.308 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 79.25 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -174.88 38.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.17 103.94 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.15 169.95 10.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -153.88 78.64 0.2 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.477 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -134.61 59.45 1.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.848 0.356 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -141.1 177.35 8.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.12 107.72 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.42 88.82 7.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.6 m -75.01 100.28 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -138.28 172.16 13.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -156.93 121.25 4.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -131.66 36.88 3.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.7 m -113.58 103.9 11.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.824 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.0 tp -151.66 53.79 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.4 t -122.4 175.52 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.14 72.53 0.48 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 132.39 23.21 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.332 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.49 -179.47 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.44 162.61 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.509 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t 54.02 79.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 110.836 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -139.28 -61.2 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.35 109.03 0.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.56 138.73 31.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.905 0.383 . . . . 0.0 110.811 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -121.43 75.97 1.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.59 83.5 0.12 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -106.02 102.71 12.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.348 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 t -163.42 120.89 1.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.64 135.4 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -134.04 157.89 44.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -154.9 124.82 6.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -79.05 100.84 7.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.7 mt -70.24 104.35 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -146.76 47.44 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.08 170.83 18.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -121.36 113.01 19.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.3 mm -116.87 131.75 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.1 t -54.33 152.64 6.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -107.3 24.48 12.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.8 t -133.64 -41.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.0 p -116.09 -16.84 11.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m 63.95 63.24 0.83 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.7 mmt-85 -123.31 179.99 4.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.01 -40.26 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.539 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.31 -22.14 60.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -84.92 0.01 52.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.453 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.8 p-10 -49.91 -27.42 5.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -51.36 -28.6 12.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -123.64 32.44 5.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.9 mt -88.13 133.79 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.54 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -93.97 156.59 16.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -119.5 129.31 54.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.2 t -84.24 139.2 32.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -91.44 45.62 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.19 -39.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 p -125.46 -2.34 7.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.5 t0 51.59 55.84 8.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -100.7 -179.91 4.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.538 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.3 m120 -125.13 122.22 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.513 ' HB3' HD21 ' A' ' 46' ' ' LEU . 87.4 m-85 -138.02 134.8 35.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -79.85 -179.61 7.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.828 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.663 HD13 ' HA ' ' A' ' 52' ' ' GLU . 30.7 pt -97.28 -11.68 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -116.06 17.02 15.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 33.2 m -114.19 -25.32 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.513 HD21 ' HB3' ' A' ' 41' ' ' TYR . 14.0 mt -68.2 -169.5 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.43 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.66 105.47 0.46 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.59 0.71 . . . . 0.0 110.942 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.9 Cg_endo -69.76 148.23 86.31 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.313 -0.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 160.61 49.08 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.377 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.8 mt -102.4 159.61 28.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.699 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -41.11 4.62 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.663 ' HA ' HD13 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -174.8 -179.09 1.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.8 mm -50.79 131.27 28.68 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.64 0.733 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.54 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.4 Cg_endo -69.75 176.56 6.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -98.05 -74.89 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.83 -148.64 0.5 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 83.6 mt -74.9 129.86 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.426 ' CD2' HD23 ' A' ' 32' ' ' LEU . 76.2 t90 -117.24 139.41 50.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -117.15 160.34 21.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.524 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.0 p -95.53 158.74 34.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.729 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.524 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.2 Cg_endo -69.76 -24.18 29.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.686 2.258 . . . . 0.0 112.345 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -70.64 -18.78 62.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.9 m -103.1 -41.97 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.1 mt -66.75 -45.3 88.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.93 -17.1 64.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.66 -47.65 7.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -28.26 62.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -54.36 163.94 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -99.01 76.49 2.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -148.54 156.46 42.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.586 0.708 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 159.89 51.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.722 2.282 . . . . 0.0 112.299 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 78.72 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.644 2.229 . . . . 0.0 112.365 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -179.01 34.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.46 60.57 3.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -137.39 152.01 49.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -107.28 -170.53 22.17 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 62.93 171.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 59.91 96.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -58.17 -44.85 88.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -102.48 174.78 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.72 -49.28 2.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 54.28 59.65 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.91 165.49 14.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -155.27 -43.22 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 m 53.01 73.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.5 tp -121.02 149.37 42.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.21 112.23 24.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.75 -165.08 32.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 159.72 52.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.381 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 p -170.15 160.58 8.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.4 t -108.68 -53.78 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.485 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.08 138.49 54.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.859 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 p -117.7 154.69 31.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.35 146.79 13.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.92 147.34 52.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.79 127.5 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.35 -122.68 1.27 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.505 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -104.91 82.04 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -97.2 153.15 18.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.2 t 58.8 81.12 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.08 111.16 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -145.73 -173.45 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -146.34 126.28 13.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.6 mp -104.27 150.47 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.55 73.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.3 157.13 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -124.38 111.21 15.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.5 mm -115.67 132.51 64.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.0 t -55.86 152.95 9.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -106.69 23.7 13.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.6 t -133.68 -42.29 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.6 p -115.32 -17.23 11.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.4 m 63.79 63.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -122.85 179.81 4.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.35 -39.67 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -22.14 61.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.756 0.312 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -85.32 0.02 53.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.468 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.9 p-10 -49.96 -27.68 5.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -28.8 12.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -123.7 32.99 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 40' ' ' ASN . 4.0 mt -88.59 135.23 33.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.545 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -96.32 157.24 15.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -119.57 128.82 54.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.0 t -83.94 138.51 33.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -91.16 46.05 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.56 -39.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.14 -2.79 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t70 51.63 57.29 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -103.27 -179.81 4.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.816 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.535 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.5 m120 -124.86 122.24 36.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -137.11 135.94 37.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -80.98 177.25 9.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.75 HD13 ' HA ' ' A' ' 52' ' ' GLU . 13.2 pt -95.67 -2.7 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -126.1 17.62 7.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.3 m -114.54 -24.99 8.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mt -70.12 -169.45 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.444 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.98 105.57 0.44 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 0.0 110.904 179.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.444 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.2 Cg_endo -69.84 148.31 86.65 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.318 -0.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 176.49 6.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.433 HD11 ' HE1' ' A' ' 58' ' ' TRP . 26.9 mt -118.42 159.34 44.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.928 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -42.19 3.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.311 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.75 ' HA ' HD13 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -174.33 -178.73 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.7 mm -51.01 131.17 30.33 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.625 0.726 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.545 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.76 177.32 5.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -98.35 -74.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.84 -146.54 0.38 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.6 mt -76.96 130.94 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.433 ' HE1' HD11 ' A' ' 50' ' ' LEU . 79.0 t90 -117.83 140.19 50.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.28 160.4 21.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.526 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.3 p -95.83 158.74 33.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.864 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.7 Cg_endo -69.78 -24.11 29.98 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.377 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.62 -18.89 62.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.0 m -103.05 -41.99 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.2 mt -66.72 -45.4 88.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.08 -17.44 64.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.92 -44.08 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -27.87 61.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.7 t -57.15 102.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.2 mttt 59.59 176.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.79 154.7 1.23 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.632 0.73 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 163.21 39.1 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 78.79 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.44 35.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.35 103.96 6.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -106.46 107.72 18.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -178.77 94.33 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.513 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -103.07 97.18 7.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.92 90.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 58.77 -175.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -141.95 -171.42 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.45 165.3 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.168 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -130.6 153.1 49.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.84 -26.01 61.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 57.01 62.7 2.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.9 p -85.46 126.43 33.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.6 mt -98.53 162.28 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.0 t -146.58 99.14 3.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -154.71 73.12 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 166.13 28.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.9 m -58.3 -46.82 85.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 m -117.55 165.32 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.512 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -88.47 131.38 34.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.373 . . . . 0.0 110.858 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -160.64 172.0 17.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.17 148.99 6.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.448 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 p -149.27 154.54 39.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.37 . . . . 0.0 110.834 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.79 164.08 9.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.07 153.67 24.3 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -144.07 142.88 30.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.819 0.342 . . . . 0.0 110.815 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.66 168.17 10.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.6 t 62.63 179.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -175.13 177.36 1.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -117.66 162.46 18.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -153.9 145.01 22.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.8 mm -87.23 136.09 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -164.36 46.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.4 m -137.72 174.79 10.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -121.71 112.26 18.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.7 mm -115.34 130.67 69.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.158 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.8 t -53.86 154.05 4.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -107.76 22.42 15.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.2 t -132.06 -42.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -115.6 -17.21 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 m 63.84 63.58 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -123.3 179.91 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.5 -39.82 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.448 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.45 -22.06 60.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.726 0.298 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -85.51 -0.06 53.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.457 ' HA ' HD12 ' A' ' 31' ' ' LEU . 16.9 p-10 -49.76 -27.7 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.39 -28.62 13.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -123.64 32.57 5.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 40' ' ' ASN . 4.0 mt -88.1 133.75 33.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.546 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -93.79 156.32 16.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -119.11 129.62 55.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.3 t -84.54 138.82 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -91.27 45.78 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.3 -38.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.507 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 p -126.22 -1.39 7.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.78 56.49 7.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.81 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -101.2 -179.9 4.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.537 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.3 m120 -125.08 122.28 36.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.521 ' HB3' HD21 ' A' ' 46' ' ' LEU . 86.3 m-85 -138.11 134.95 35.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.2 m170 -80.45 177.97 8.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.876 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.609 HD13 ' HA ' ' A' ' 52' ' ' GLU . 40.6 pt -93.97 -13.82 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -114.41 16.89 17.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.2 m -113.56 -25.38 8.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 41' ' ' TYR . 14.3 mt -68.4 -169.47 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.5 105.43 0.47 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.619 0.723 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.8 Cg_endo -69.74 148.26 86.29 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.315 -0.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 160.26 50.34 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.325 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.4 mt -101.99 159.54 29.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.634 0.731 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -40.19 5.62 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.609 ' HA ' HD13 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -175.09 -179.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.7 mm -51.06 131.27 30.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.546 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.7 175.99 7.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.379 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -97.6 -74.87 0.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.51 -148.23 0.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.1 mt -75.47 130.11 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.424 ' CD2' HD23 ' A' ' 32' ' ' LEU . 76.2 t90 -117.36 139.37 50.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -117.13 160.31 21.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.526 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.3 p -95.44 158.76 34.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.655 0.741 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.3 Cg_endo -69.75 -24.16 30.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.61 -18.86 62.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.7 m -103.05 -42.04 5.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.811 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.3 mt -66.7 -45.41 88.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.69 -17.16 64.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.25 -47.7 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -27.93 62.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.2 t -65.76 130.16 42.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm 52.33 85.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -53.16 154.1 5.9 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.538 0.685 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 164.28 35.12 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.643 2.229 . . . . 0.0 112.388 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 80.07 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.31 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.87 35.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -149.2 125.98 11.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.06 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 55.91 65.99 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.4 -127.39 6.02 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -111.54 158.6 18.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.348 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -93.56 44.18 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.51 145.35 48.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -158.55 107.22 1.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.82 106.05 8.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.36 99.12 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -111.19 67.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -140.41 -55.87 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.412 ' C ' HD23 ' A' ' 86' ' ' LEU . 4.9 p 56.06 -170.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.85 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.412 HD23 ' C ' ' A' ' 85' ' ' SER . 0.4 OUTLIER -164.23 140.76 6.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.55 140.35 35.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -109.36 159.08 14.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.456 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -22.75 31.91 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.26 . . . . 0.0 112.324 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.18 137.23 1.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.7 m -94.0 -73.17 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.499 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -150.85 126.01 9.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.869 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 t -121.24 154.63 36.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.51 -170.45 34.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.504 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -109.34 100.25 9.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 110.846 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -79.86 -65.22 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.6 131.15 2.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -90.9 175.84 6.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.5 -171.95 1.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.8 p -152.96 176.6 11.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.86 138.15 45.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.086 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -155.19 167.46 30.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -136.05 120.29 17.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.8 mt -83.57 116.64 27.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -145.39 35.73 1.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.0 m -89.42 169.62 11.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -117.29 111.98 20.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.2 mm -114.26 132.79 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.4 t -56.03 153.86 8.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -107.18 22.75 15.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.4 t -132.62 -42.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.3 p -114.95 -16.81 11.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m 63.78 63.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.0 mmt-85 -125.07 174.62 7.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.72 -37.87 0.18 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -22.32 61.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.791 0.329 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -85.26 -0.44 54.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.474 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.1 p-10 -50.43 -27.89 7.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.3 -29.06 13.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -124.25 32.84 5.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.504 HD13 ' HB3' ' A' ' 40' ' ' ASN . 3.3 mt -86.27 144.05 27.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.955 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.595 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.0 mp -104.52 150.33 24.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -115.25 130.26 56.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.5 t -85.2 140.24 31.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -91.32 45.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.83 -43.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.47 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.9 p -117.98 -13.99 10.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 t70 63.63 48.5 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -95.69 -179.12 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.504 ' HB3' HD13 ' A' ' 31' ' ' LEU . 1.2 m120 -125.53 122.28 36.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -137.23 135.72 37.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -81.37 171.93 14.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.749 HD13 ' HA ' ' A' ' 52' ' ' GLU . 10.1 pt -90.96 -0.15 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -127.99 15.76 6.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.2 m -112.67 -24.61 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.07 -169.5 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.452 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -169.6 105.5 0.46 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.618 0.723 . . . . 0.0 110.952 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.4 Cg_endo -69.78 148.32 86.52 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.337 -0.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -179.75 3.14 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.47 HD11 ' HE1' ' A' ' 58' ' ' TRP . 46.6 mt -120.62 157.66 53.66 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.613 0.72 . . . . 0.0 110.922 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -44.48 2.06 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.749 ' HA ' HD13 ' A' ' 43' ' ' ILE . 10.2 pt-20 -169.45 176.77 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.553 HD13 ' CD1' ' A' ' 32' ' ' LEU . 14.4 mm -51.53 131.43 35.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 0.0 111.164 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.595 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.79 171.61 14.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.25 -72.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.17 -143.88 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.0 mt -83.62 130.81 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.47 ' HE1' HD11 ' A' ' 50' ' ' LEU . 75.6 t90 -117.6 140.83 49.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.63 160.31 22.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.531 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -96.4 158.87 33.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.531 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 54.2 Cg_endo -69.73 -23.86 30.48 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -70.73 -19.24 62.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 23.3 m -102.91 -41.59 6.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.8 mt -66.92 -45.21 87.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.95 -16.96 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.77 -37.8 11.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -76.67 -32.99 58.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.4 t -53.32 145.18 14.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mttt 60.16 176.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -139.64 158.6 67.82 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.615 0.721 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 165.35 31.23 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 75.19 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.67 2.247 . . . . 0.0 112.347 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.92 85.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -178.29 101.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -99.85 116.87 32.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -149.26 -64.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 54.05 88.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -130.54 40.12 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -101.48 -51.58 3.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.21 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.56 172.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 58.68 38.03 25.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -119.19 106.46 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -143.23 97.21 3.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m 60.83 39.27 17.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 58.13 66.7 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.3 t -137.43 111.77 8.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.51 -161.76 27.96 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 90.37 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.737 2.291 . . . . 0.0 112.305 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -33.05 71.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.807 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.52 122.09 34.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.508 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -95.3 82.04 3.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.87 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 t -101.25 92.38 4.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.77 -176.01 30.89 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.465 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.4 151.4 35.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.893 0.378 . . . . 0.0 110.83 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 m -158.42 107.06 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.67 69.69 0.3 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -105.46 132.44 51.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.33 143.94 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.45 -30.23 20.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.822 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 53.08 62.62 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -118.52 -176.68 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.27 42.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.2 mm -87.62 128.36 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -160.01 63.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 p -88.49 179.02 6.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -122.0 111.26 16.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.523 HG22 ' HA ' ' A' ' 23' ' ' SER . 24.9 mm -116.31 132.52 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.2 t -51.94 151.1 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -103.67 23.07 13.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.5 t -134.22 -41.47 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.4 p -116.8 -12.95 10.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.523 ' HA ' HG22 ' A' ' 18' ' ' ILE . 28.1 t 58.65 64.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.7 mmt-85 -125.64 168.81 13.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.36 -37.24 0.34 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -59.56 -21.97 61.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.763 0.316 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -86.84 -0.1 55.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.475 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.1 p-10 -50.15 -27.21 5.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -51.49 -28.45 13.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -123.82 31.86 5.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.53 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.6 mt -86.63 138.36 31.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.548 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.7 mp -98.91 156.67 16.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -119.78 128.86 54.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.1 t -82.98 139.02 33.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -91.19 45.87 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.76 -39.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -125.43 -2.51 7.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 45.5 t0 51.69 56.68 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -101.41 -179.76 4.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.53 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -124.43 122.22 37.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.443 ' HB3' HD21 ' A' ' 46' ' ' LEU . 82.9 m-85 -138.99 134.23 32.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -78.93 -175.23 4.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.774 HD13 ' HA ' ' A' ' 52' ' ' GLU . 7.5 pt -103.84 -7.11 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -119.05 13.05 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.7 m -110.68 -23.88 10.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.443 HD21 ' HB3' ' A' ' 41' ' ' TYR . 11.7 mt -69.95 -169.38 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.32 105.6 0.43 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.911 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 54.0 Cg_endo -69.75 148.29 86.38 Favored 'Cis proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.357 -0.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 170.2 17.1 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.701 2.268 . . . . 0.0 112.358 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.6 mt -111.87 159.4 33.63 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.597 0.713 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -43.6 2.59 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.701 2.267 . . . . 0.0 112.312 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.774 ' HA ' HD13 ' A' ' 43' ' ' ILE . 1.4 pt-20 -171.92 -178.81 2.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.406 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.4 mm -51.51 131.36 35.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.637 0.732 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.548 ' HD3' HD21 ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.75 172.61 12.31 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -95.48 -74.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.08 -146.84 0.14 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.2 mt -78.89 130.63 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.426 ' CG ' HD23 ' A' ' 32' ' ' LEU . 74.2 t90 -117.28 139.69 50.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.8 160.27 21.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.523 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.2 p -95.08 158.69 34.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.7 Cg_endo -69.73 -24.56 29.7 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -18.58 63.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 19.1 m -103.09 -41.93 5.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.2 mt -66.38 -45.1 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.95 -17.48 57.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.07 -44.42 7.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -75.54 -12.42 60.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.8 p -50.73 164.04 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -73.91 150.86 40.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -85.01 154.14 60.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.8 20.5 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.339 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 80.05 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -176.11 36.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -153.98 135.63 14.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -118.49 -65.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.59 164.0 21.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -74.32 117.94 16.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.38 35.76 2.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -71.25 -72.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 52.95 73.05 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.2 m -99.62 154.05 18.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -56.06 141.83 38.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -73.64 167.84 20.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -162.59 29.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.951 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -57.43 128.41 36.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 59.76 91.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.28 124.54 35.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 136.38 177.78 15.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 135.77 31.29 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.726 2.284 . . . . 0.0 112.313 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -94.48 170.66 9.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.8 t -139.12 -51.37 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.123 -0.82 . . . . 0.0 112.454 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 p -140.15 99.83 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.58 167.78 14.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.822 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.76 97.83 0.49 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.19 157.26 11.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.876 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -177.83 143.55 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.73 40.12 0.22 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.479 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -102.41 168.71 9.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 p -143.37 88.66 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.3 p -112.02 71.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -124.45 99.61 6.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -79.24 172.49 13.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -160.01 131.6 6.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.1 mm -69.26 130.36 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -95.7 42.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.18 179.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -117.1 111.23 19.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.653 HG22 ' HA ' ' A' ' 23' ' ' SER . 24.9 mm -112.61 135.5 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.1 t -51.88 151.54 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -102.94 21.63 15.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.2 t -133.75 -41.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.15 -17.68 10.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.653 ' HA ' HG22 ' A' ' 18' ' ' ILE . 12.4 t 63.6 63.92 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -126.31 166.06 17.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -127.21 -36.24 0.51 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -22.16 61.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -88.12 -0.03 56.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.477 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.2 p-10 -50.36 -27.03 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.5 -28.34 13.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -124.06 31.66 5.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.514 HD22 ' HB3' ' A' ' 40' ' ' ASN . 3.4 mt -85.8 142.32 29.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.544 HD21 ' HD3' ' A' ' 54' ' ' PRO . 8.6 mp -103.14 155.92 18.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -119.63 128.2 53.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.4 t -82.3 139.11 34.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -91.21 45.74 1.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.82 -38.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 p -125.31 -2.56 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 t0 51.62 57.01 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -101.78 -179.72 4.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.514 ' HB3' HD22 ' A' ' 31' ' ' LEU . 1.1 m120 -124.54 122.27 37.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -139.11 135.31 33.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -80.35 -177.16 6.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.779 HD13 ' HA ' ' A' ' 52' ' ' GLU . 7.9 pt -101.7 -4.29 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.142 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -122.64 14.09 10.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.3 m -110.35 -23.3 11.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.2 mt -72.49 -169.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -170.2 105.49 0.44 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.612 0.72 . . . . 0.0 110.923 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 53.0 Cg_endo -69.81 148.27 86.49 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.32 -0.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 179.4 3.72 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.4 mt -119.88 159.14 47.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.595 0.712 . . . . 0.0 110.959 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -43.77 2.46 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.708 2.272 . . . . 0.0 112.36 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.779 ' HA ' HD13 ' A' ' 43' ' ' ILE . 1.2 pt-20 -172.01 -179.49 2.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.414 HD13 ' CD1' ' A' ' 32' ' ' LEU . 13.3 mm -51.46 131.47 34.64 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.666 0.746 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.544 ' HD3' HD21 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.75 171.65 14.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.264 . . . . 0.0 112.322 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.81 -74.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.71 -146.58 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.8 mt -79.33 130.97 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.428 ' CD2' HD23 ' A' ' 32' ' ' LEU . 74.2 t90 -117.63 139.93 50.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.21 160.27 21.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.523 ' HB2' ' HD2' ' A' ' 61' ' ' PRO . 12.1 p -95.29 158.71 34.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HD2' ' HB2' ' A' ' 60' ' ' CYS . 53.5 Cg_endo -69.76 -24.35 29.78 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.326 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -18.81 62.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.1 m -103.03 -42.01 5.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mt -66.51 -45.27 89.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.9 mt -64.45 -16.82 63.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.3 -45.48 8.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -24.53 60.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -57.67 -179.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.35 74.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -111.21 154.52 43.56 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 170.49 16.4 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.697 2.265 . . . . 0.0 112.377 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 71.86 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 179.22 84.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -178.25 49.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -133.82 161.36 34.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.0 76.98 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -126.14 165.03 19.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -174.06 70.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -110.22 37.37 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 54.91 91.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.079 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.7 t -105.94 127.25 53.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -143.4 149.17 37.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.63 126.42 37.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.74 -54.63 8.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.81 113.1 1.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.58 -49.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 m -63.87 -31.5 72.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.5 171.69 18.64 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -40.16 5.55 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.3 t 61.71 60.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.6 t 54.47 32.58 17.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.488 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_