data_5ij4_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 5ij4 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.491 -0.244 . . . . 71.109999999999999 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.77 139.55 39.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.802 0.334 . . . . 72.310000000000002 110.873 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -91.21 138.41 31.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 75.420000000000002 110.851 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.1 t -51.85 147.88 6.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 63.530000000000001 110.843 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.82 15.97 23.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.230000000000004 111.096 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -131.04 -40.2 1.17 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.24 -0.436 . . . . 74.439999999999998 110.943 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.0 p -116.62 -14.3 10.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 70.439999999999998 110.867 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.5 mmm-85 62.52 66.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.319999999999993 110.864 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -119.11 117.01 27.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 73.140000000000001 110.923 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.85 107.84 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 72.329999999999998 110.893 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.1 157.0 27.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 73.310000000000002 110.875 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -86.28 -39.0 16.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 74.329999999999998 110.869 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.37 83.12 3.03 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.564 0.697 . . . . 74.409999999999997 110.896 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.79 18.17 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 71.439999999999998 112.372 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -84.53 107.82 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 73.519999999999996 110.834 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -82.98 121.86 27.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 74.329999999999998 110.881 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.74 129.86 34.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 65.510000000000005 110.868 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.19 19.85 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 75.329999999999998 110.808 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.51 -47.41 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 75.120000000000005 110.905 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.7 p -106.42 -16.03 14.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 61.43 110.894 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 67.54 60.28 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 75.140000000000001 110.851 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -146.78 153.74 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 65.150000000000006 110.845 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.89 141.82 30.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 75.310000000000002 110.883 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -150.56 137.95 19.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 70.319999999999993 110.856 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.8 p -50.16 157.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 64.430000000000007 110.889 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.09 -36.08 60.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 54.100000000000001 110.872 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.73 -28.78 68.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 75.310000000000002 110.923 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -117.57 21.35 13.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 73.450000000000003 110.851 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.3 ptt-85 -55.65 -37.54 68.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 74.140000000000001 110.834 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.6 mt -53.33 167.64 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 74.420000000000002 110.93 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.9 -61.31 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 75.230000000000004 110.935 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -54.79 -29.53 54.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 72.140000000000001 110.865 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -49.86 -53.37 26.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 73.340000000000003 110.891 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -96.44 20.88 9.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 75.400000000000006 110.866 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 50.43 55.63 9.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 73.420000000000002 110.879 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.120000000000005 110.852 -179.902 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.487 -0.245 . . . . 53.310000000000002 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.0 136.36 43.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 64.400000000000006 110.902 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -85.77 135.56 33.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 74.540000000000006 110.825 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.9 t -51.63 142.52 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.340000000000003 110.856 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.44 18.54 11.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.519999999999996 111.083 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -131.35 -41.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 75.409999999999997 110.878 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.5 p -116.04 -17.9 10.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 73.040000000000006 110.869 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 66.65 63.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 75.310000000000002 110.897 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -119.18 114.94 23.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 75.209999999999994 110.931 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.98 110.09 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 75.310000000000002 110.919 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.94 157.41 27.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 74.400000000000006 110.841 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -85.98 -39.22 17.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 73.150000000000006 110.899 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.86 81.98 2.83 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.636 0.731 . . . . 74.310000000000002 110.902 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 129.69 18.02 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.283 . . . . 73.319999999999993 112.314 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -83.18 113.4 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 73.200000000000003 110.931 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -87.87 120.71 29.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 74.030000000000001 110.898 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.74 129.89 34.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 43.039999999999999 110.846 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.09 19.58 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 70.310000000000002 110.862 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.47 -47.51 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 74.549999999999997 110.883 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.9 p -106.24 -16.32 14.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 75.109999999999999 110.884 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 t30 67.25 60.26 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 73.219999999999999 110.904 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -146.85 154.02 40.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.340000000000003 110.882 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -97.76 141.6 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 62.210000000000001 110.883 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -150.48 136.47 18.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 74.510000000000005 110.865 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 p -49.9 159.62 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 65.239999999999995 110.861 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -53.57 -35.2 60.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 51.130000000000003 110.851 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -27.86 69.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 73.129999999999995 110.9 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -118.98 21.4 12.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 72.219999999999999 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -58.31 -39.1 78.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 75.200000000000003 110.841 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.2 mt -51.83 163.79 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 74.209999999999994 110.928 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.63 -62.17 1.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 75.040000000000006 110.866 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -56.63 -29.44 62.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 74.310000000000002 110.858 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.97 -53.44 26.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 73.299999999999997 110.861 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -95.33 20.97 8.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.530000000000001 110.899 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 50.63 56.11 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.409999999999997 110.874 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 74.140000000000001 110.881 -179.921 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.473 -0.251 . . . . 64.530000000000001 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.84 139.43 38.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.329 . . . . 74.319999999999993 110.915 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -91.62 137.65 32.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 71.519999999999996 110.871 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.0 t -51.49 148.18 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 72.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.85 15.82 24.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 70.219999999999999 111.065 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -130.92 -40.02 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 75.430000000000007 110.943 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.8 p -116.16 -15.03 11.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.517 . . . . 73.239999999999995 110.88 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.0 mmm-85 62.93 66.1 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.129999999999995 110.836 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -119.14 117.29 28.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.209999999999994 110.934 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.61 107.6 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 72.439999999999998 110.909 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.04 158.79 23.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 74.140000000000001 110.876 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -87.62 -39.6 14.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mt -110.32 83.1 2.98 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.605 0.717 . . . . 75.310000000000002 110.895 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 129.74 18.08 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.707 2.271 . . . . 64.340000000000003 112.333 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -84.82 106.38 16.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.340000000000003 110.841 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -81.29 122.6 27.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 74.329999999999998 110.84 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.74 129.89 34.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 75.219999999999999 110.898 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.33 19.99 7.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 54.219999999999999 110.861 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.57 -47.37 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 75.030000000000001 110.903 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.8 p -106.07 -16.63 14.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 63.240000000000002 110.919 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 67.68 60.34 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 73.099999999999994 110.911 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -146.41 155.71 42.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.892 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -97.83 141.67 30.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 74.109999999999999 110.894 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -151.25 136.74 17.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 65.219999999999999 110.867 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.2 p -50.21 157.49 0.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 72.010000000000005 110.866 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.2 m -53.23 -36.37 60.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.439999999999998 110.842 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -28.18 68.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 73.219999999999999 110.906 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -118.61 21.28 12.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 75.319999999999993 110.871 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.0 ptt85 -55.28 -38.75 69.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 73.510000000000005 110.898 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -51.83 167.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 71.450000000000003 110.887 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.06 -61.53 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.239999999999995 110.923 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -54.72 -29.5 53.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 73.319999999999993 110.881 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -49.83 -53.37 25.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 74.349999999999994 110.936 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -96.67 20.93 10.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 65.430000000000007 110.864 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 50.59 55.6 9.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 71.430000000000007 110.843 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 70.140000000000001 110.875 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.499 -0.241 . . . . 72.420000000000002 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.7 132.34 50.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 71.150000000000006 110.938 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -83.85 137.97 33.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 71.430000000000007 110.876 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.8 t -51.58 148.72 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 61.520000000000003 110.843 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.2 15.61 25.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 72.310000000000002 111.126 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -131.0 -40.18 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 75.140000000000001 110.919 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.5 p -116.21 -14.22 11.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 63.229999999999997 110.878 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 62.4 66.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 74.120000000000005 110.834 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -119.2 118.42 31.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.219999999999999 110.889 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.3 tp -65.26 107.58 1.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 73.109999999999999 110.953 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -117.3 157.76 25.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 64.310000000000002 110.903 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -87.54 -38.08 16.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 75.329999999999998 110.924 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.05 82.05 3.0 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.604 0.716 . . . . 63.420000000000002 110.909 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 129.72 18.12 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.696 2.264 . . . . 70.319999999999993 112.343 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -84.31 110.18 18.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 74.109999999999999 110.869 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -84.83 121.26 27.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 73.340000000000003 110.882 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.77 130.03 34.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 73.049999999999997 110.89 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.36 19.64 8.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.209999999999994 110.879 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -118.55 -47.38 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 74.319999999999993 110.915 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -106.12 -16.4 14.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 71.439999999999998 110.919 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 t30 67.24 60.24 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 74.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -146.93 153.95 40.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 73.439999999999998 110.899 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -97.9 141.87 30.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 72.530000000000001 110.865 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -150.77 137.2 18.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.140000000000001 110.881 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.9 p -49.97 159.2 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 64.310000000000002 110.891 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.43 -35.58 60.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 75.420000000000002 110.84 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.2 -28.08 69.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 72.329999999999998 110.877 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -118.6 21.35 12.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 73.540000000000006 110.847 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -57.58 -39.22 76.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.219999999999999 110.894 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.7 mt -51.6 164.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 62.539999999999999 110.912 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -62.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 75.420000000000002 110.895 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -56.62 -29.48 62.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 70.420000000000002 110.901 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.93 -53.39 26.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 74.450000000000003 110.856 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -95.43 21.06 8.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.239999999999995 110.837 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 50.89 55.88 8.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 73.25 110.835 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 74.200000000000003 110.879 -179.951 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.493 -0.243 . . . . 75.519999999999996 112.493 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.89 139.67 40.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.792 0.329 . . . . 75.400000000000006 110.915 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -90.45 138.31 31.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 73.530000000000001 110.831 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.5 t -51.74 146.85 7.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 75.109999999999999 110.867 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.37 16.56 19.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 72.439999999999998 111.117 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -131.16 -43.51 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 73.430000000000007 110.927 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.8 p -113.03 -15.09 12.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 71.049999999999997 110.897 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 63.43 66.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 74.329999999999998 110.858 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -119.11 116.81 27.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 74.430000000000007 110.943 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.13 107.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 64.329999999999998 110.958 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -116.89 155.5 28.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 74.209999999999994 110.863 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -85.06 -39.37 18.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 74.329999999999998 110.884 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 mt -110.51 83.25 3.21 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.597 0.713 . . . . 73.400000000000006 110.92 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 129.71 18.13 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.721 2.281 . . . . 74.120000000000005 112.364 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -87.12 109.53 19.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 73.420000000000002 110.86 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -84.91 123.34 30.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 72.219999999999999 110.872 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.4 t -85.85 129.73 34.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 75.140000000000001 110.855 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.36 20.78 6.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 72.400000000000006 110.835 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -118.45 -47.35 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 71.140000000000001 110.904 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 p -107.23 -14.0 15.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 61.520000000000003 110.86 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 67.01 60.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 74.530000000000001 110.9 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -147.7 150.51 34.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 74.099999999999994 110.866 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -97.95 143.16 28.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 75.430000000000007 110.881 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -150.83 141.73 22.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.510000000000005 110.876 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.6 p -50.03 157.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 74.010000000000005 110.901 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.7 p -51.81 -46.22 64.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 74.049999999999997 110.847 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -53.98 -27.31 30.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 75.230000000000004 110.896 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -115.63 21.37 14.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 72.549999999999997 110.868 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -59.47 -35.05 73.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 75.299999999999997 110.86 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.9 mt -54.51 169.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 75.310000000000002 110.9 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.08 -62.21 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 74.439999999999998 110.888 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -54.97 -29.64 57.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 75.540000000000006 110.838 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -49.88 -53.37 26.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 62.149999999999999 110.844 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -96.39 20.41 10.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 74.430000000000007 110.899 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 49.03 56.61 7.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 73.409999999999997 110.894 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 73.310000000000002 110.896 -179.909 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.509 -0.236 . . . . 45.009999999999998 112.509 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.96 136.61 41.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 74.409999999999997 110.907 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -89.28 136.14 33.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 72.120000000000005 110.825 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.3 t -51.45 144.17 10.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 72.510000000000005 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.38 18.66 12.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.230000000000004 111.075 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -131.27 -44.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 73.549999999999997 110.911 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 p -114.44 -16.11 11.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 72.409999999999997 110.896 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 66.05 68.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 75.450000000000003 110.845 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -119.74 113.58 20.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 75.5 110.869 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.21 104.94 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 73.219999999999999 110.945 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.22 162.37 17.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 54.130000000000003 110.9 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -91.67 -38.05 12.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 71.530000000000001 110.919 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.65 82.14 2.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 71.150000000000006 110.906 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 129.8 18.21 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.672 2.248 . . . . 72.140000000000001 112.337 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -84.34 105.93 15.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 74.430000000000007 110.846 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -82.23 122.26 27.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 72.109999999999999 110.882 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -85.78 129.75 34.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 73.519999999999996 110.88 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.03 20.34 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 110.864 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.55 -47.3 2.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 74.430000000000007 110.866 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.3 p -106.95 -14.87 14.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 52.530000000000001 110.86 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 67.28 60.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 74.129999999999995 110.882 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -147.54 150.4 34.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 75.430000000000007 110.85 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.89 143.78 28.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.430000000000007 110.876 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -151.5 140.55 21.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 72.319999999999993 110.899 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.3 p -50.04 157.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 74.209999999999994 110.907 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.52 -35.83 61.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 64.140000000000001 110.88 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.46 -27.48 68.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 74.129999999999995 110.856 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -118.14 21.31 12.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 74.439999999999998 110.816 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -57.27 -36.91 71.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 73.430000000000007 110.873 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.0 mt -52.45 168.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 64.430000000000007 110.934 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -62.31 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 75.430000000000007 110.873 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -55.0 -29.54 57.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 72.420000000000002 110.916 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -49.9 -53.28 27.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 72.409999999999997 110.905 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -96.29 20.57 10.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 75.040000000000006 110.798 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 49.11 56.8 7.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.430000000000007 110.897 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.150000000000006 110.89 -179.911 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.47 -0.252 . . . . 73.030000000000001 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.53 139.02 39.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.789 0.328 . . . . 72.340000000000003 110.898 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -91.08 138.68 31.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 74.109999999999999 110.886 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.5 t -51.44 148.65 4.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 74.450000000000003 110.875 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.56 15.66 25.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 72.510000000000005 111.122 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -130.95 -40.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.150000000000006 110.926 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.7 p -116.79 -13.8 10.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.067 -0.515 . . . . 73.030000000000001 110.834 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.8 mmm-85 62.25 66.77 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 73.25 110.849 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -119.09 118.21 30.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 74.420000000000002 110.913 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.77 108.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 74.430000000000007 110.938 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -118.73 156.2 29.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 71.030000000000001 110.904 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -85.97 -39.07 17.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 74.519999999999996 110.862 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mt -110.18 83.16 2.92 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.605 0.717 . . . . 74.129999999999995 110.941 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 129.77 18.19 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.716 2.277 . . . . 75.329999999999998 112.328 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -83.88 108.04 16.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 74.319999999999993 110.86 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -83.1 120.93 26.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 73.239999999999995 110.845 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.77 129.59 34.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 75.030000000000001 110.858 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.96 19.94 7.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 54.509999999999998 110.876 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -118.49 -47.36 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 73.349999999999994 110.896 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.8 p -106.82 -16.17 14.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 72.200000000000003 110.87 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t30 67.48 60.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 70.209999999999994 110.846 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -146.82 153.4 40.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 74.439999999999998 110.88 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -97.85 141.7 30.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.230000000000004 110.875 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -150.42 137.34 19.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 75.219999999999999 110.884 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 p -49.89 159.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 62.530000000000001 110.9 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -53.18 -36.14 60.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.420000000000002 110.855 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.35 -28.82 69.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 74.010000000000005 110.893 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -117.15 21.27 13.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 75.5 110.844 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -57.47 -38.59 74.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 75.049999999999997 110.899 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.2 mt -52.42 165.62 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 74.209999999999994 110.915 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -62.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 72.099999999999994 110.947 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -56.92 -29.1 62.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 72.040000000000006 110.902 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.93 -53.44 26.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 74.319999999999993 110.869 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -95.08 21.03 8.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 72.040000000000006 110.848 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 50.41 55.86 8.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 73.239999999999995 110.871 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 73.010000000000005 110.885 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.525 -0.23 . . . . 74.439999999999998 112.525 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -103.19 134.82 45.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 73.340000000000003 110.909 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -89.68 138.68 31.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 74.409999999999997 110.861 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 t -51.26 149.0 4.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 75.510000000000005 110.862 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.94 16.34 22.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 75.230000000000004 111.084 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -130.93 -45.33 1.04 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 75.510000000000005 110.972 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.4 p -113.02 -12.53 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 64.120000000000005 110.897 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.52 70.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 72.230000000000004 110.886 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -119.65 113.68 21.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 73.25 110.923 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.94 104.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 74.040000000000006 110.924 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.04 162.83 16.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 110.872 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -92.73 -39.35 11.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 72.450000000000003 110.896 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.91 83.78 3.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.74 . . . . 72.099999999999994 110.866 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 129.92 18.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.281 . . . . 73.340000000000003 112.328 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -86.34 106.91 17.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 75.150000000000006 110.893 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -79.29 125.57 29.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 75.319999999999993 110.9 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.1 t -85.93 132.27 34.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 73.329999999999998 110.858 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.03 17.67 9.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 75.019999999999996 110.863 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.9 m-30 -116.61 -47.2 2.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 74.519999999999996 110.927 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.7 p -107.93 -16.96 14.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 73.340000000000003 110.926 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 t30 67.7 60.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 75.319999999999993 110.91 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -144.07 160.13 41.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 74.230000000000004 110.857 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -97.82 142.0 30.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 64.299999999999997 110.872 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -151.77 136.93 17.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.319999999999993 110.863 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.5 p -50.44 159.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 65.530000000000001 110.864 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.3 p -53.66 -35.75 61.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 74.310000000000002 110.876 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.37 -27.14 68.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 71.519999999999996 110.916 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -119.21 21.31 12.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.25 110.861 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.43 -38.89 78.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 75.549999999999997 110.839 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.5 mt -54.24 167.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.450000000000003 110.933 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -61.95 1.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 75.239999999999995 110.932 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.63 -27.08 37.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 73.530000000000001 110.917 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -49.87 -53.24 26.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 74.299999999999997 110.888 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -97.68 19.37 13.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.409999999999997 110.865 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 46.49 61.87 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 65.120000000000005 110.825 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 71.209999999999994 110.872 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.505 -0.238 . . . . 63.439999999999998 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -102.89 139.69 38.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 75.530000000000001 110.875 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -91.27 138.06 31.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 73.530000000000001 110.844 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.9 t -51.63 148.63 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 73.510000000000005 110.875 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.18 15.75 25.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 72.219999999999999 111.124 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -131.05 -40.13 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 75.140000000000001 110.957 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.7 p -116.25 -14.51 11.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 75.310000000000002 110.838 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 62.58 66.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 75.409999999999997 110.886 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -119.16 118.24 30.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 72.409999999999997 110.917 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.0 tp -65.05 107.68 1.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.430000000000007 110.942 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.34 156.34 28.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 72.510000000000005 110.864 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -85.57 -39.48 17.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 75.5 110.863 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mt -110.09 83.41 3.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.567 0.698 . . . . 75.209999999999994 110.921 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 129.99 18.51 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 73.030000000000001 112.349 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -87.85 112.17 22.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 74.239999999999995 110.859 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -84.05 125.24 31.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 73.099999999999994 110.874 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.5 t -85.96 131.67 34.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 64.420000000000002 110.829 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.03 18.27 8.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 72.239999999999995 110.87 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.9 m-30 -116.53 -47.25 2.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 72.510000000000005 110.862 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.4 p -108.07 -17.05 14.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 75.010000000000005 110.878 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 67.91 60.38 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 71.340000000000003 110.88 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -144.0 160.86 40.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 71.329999999999998 110.841 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -97.87 141.64 30.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 73.329999999999998 110.842 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -151.37 135.88 16.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 72.140000000000001 110.888 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.7 p -50.41 158.82 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 74.010000000000005 110.91 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -34.93 60.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 70.409999999999997 110.857 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.99 -27.06 69.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 75.409999999999997 110.891 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -120.05 21.48 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 64.140000000000001 110.872 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -58.15 -39.8 79.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 75.310000000000002 110.868 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -52.75 168.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 74.439999999999998 110.896 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -62.21 1.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.340000000000003 110.94 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -27.17 39.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 72.129999999999995 110.886 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -49.88 -53.28 26.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.477 . . . . 73.230000000000004 110.811 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -97.6 19.35 13.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 72.140000000000001 110.838 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 46.2 61.96 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 74.099999999999994 110.875 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 62.409999999999997 110.912 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.497 -0.241 . . . . 73.209999999999994 112.497 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 132.27 53.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.815 0.34 . . . . 73.230000000000004 110.875 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -82.82 138.3 34.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 74.319999999999993 110.873 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 t -51.68 147.77 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 110.854 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.77 16.14 23.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 61.310000000000002 111.094 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -130.93 -40.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 74.409999999999997 110.889 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.0 p -116.06 -15.42 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 74.319999999999993 110.856 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.59 65.91 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 75.25 110.87 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -119.21 117.28 28.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.010000000000005 110.901 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 tt -64.01 108.51 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.109999999999999 110.903 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.17 158.01 25.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 73.140000000000001 110.855 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -87.42 -38.17 16.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 71.530000000000001 110.871 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.94 81.94 2.86 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.615 0.722 . . . . 73.409999999999997 110.911 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.74 18.17 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.743 2.295 . . . . 71.129999999999995 112.326 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -83.97 111.35 19.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 110.865 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -86.04 121.06 28.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 73.310000000000002 110.872 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.78 130.02 34.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 73.349999999999994 110.908 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.17 19.42 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 75.430000000000007 110.879 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -118.43 -47.44 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 71.420000000000002 110.926 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -106.08 -16.64 14.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 72.109999999999999 110.899 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 67.36 60.21 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 74.530000000000001 110.864 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -146.91 153.84 40.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 75.230000000000004 110.873 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -97.84 141.61 30.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 73.129999999999995 110.863 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -150.36 137.05 19.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 71.099999999999994 110.906 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 p -50.0 159.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 75.030000000000001 110.9 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.0 t -53.59 -35.09 60.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.230000000000004 110.864 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -62.81 -27.85 69.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 65.549999999999997 110.917 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -118.99 21.41 12.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 74.430000000000007 110.837 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -57.86 -39.3 77.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 74.340000000000003 110.883 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.9 mt -51.63 164.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.45 -62.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 54.030000000000001 110.87 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -56.48 -29.55 61.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 74.340000000000003 110.909 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.96 -53.34 27.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 75.299999999999997 110.876 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -95.43 21.15 8.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 72.120000000000005 110.884 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 50.95 55.57 9.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 75.329999999999998 110.843 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.6 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 74.329999999999998 110.925 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.464 -0.255 . . . . 55.509999999999998 112.464 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.46 136.99 43.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 71.150000000000006 110.867 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -90.3 137.97 31.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 72.219999999999999 110.876 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.9 t -51.58 146.34 7.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 62.409999999999997 110.917 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.47 17.43 16.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 74.040000000000006 111.1 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -131.15 -46.71 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.439999999999998 110.891 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.0 p -111.22 -14.83 13.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 73.299999999999997 110.868 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 63.98 69.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 72.439999999999998 110.878 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -119.69 113.56 20.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 73.310000000000002 110.95 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.11 104.96 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 73.129999999999995 110.933 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.97 163.39 15.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 62.509999999999998 110.85 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -92.27 -39.97 11.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 75.150000000000006 110.873 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -109.81 83.64 2.92 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.585 0.707 . . . . 74.230000000000004 110.9 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 129.82 18.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 74.109999999999999 112.356 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -84.85 105.92 15.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.439999999999998 110.833 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -80.95 123.8 28.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 73.019999999999996 110.86 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.94 130.88 34.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 55.020000000000003 110.877 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.83 19.12 7.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 74.400000000000006 110.858 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -118.57 -47.29 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 74.430000000000007 110.894 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.7 p -106.22 -17.45 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 71.519999999999996 110.868 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 67.62 60.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 74.340000000000003 110.9 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -145.51 156.12 43.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 73.5 110.889 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.96 141.57 30.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 73.010000000000005 110.829 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -151.73 137.23 17.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 73.219999999999999 110.879 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.6 p -49.89 158.1 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 74.030000000000001 110.897 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.7 p -53.5 -35.46 60.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 73.310000000000002 110.881 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -27.35 68.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 73.5 110.871 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -118.46 21.22 12.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.150000000000006 110.891 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.5 ptt-85 -56.71 -35.99 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 75.319999999999993 110.907 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.2 mt -54.86 168.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 73.230000000000004 110.917 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.08 -61.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.430000000000007 110.898 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -29.37 52.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.430000000000007 110.896 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -49.93 -53.38 26.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 74.450000000000003 110.862 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -96.61 21.1 9.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.835 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 51.05 54.45 11.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 63.409999999999997 110.877 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 63.210000000000001 110.901 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.518 -0.233 . . . . 54.009999999999998 112.518 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 135.14 42.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 74.120000000000005 110.912 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -86.83 136.67 32.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 72.120000000000005 110.894 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 t -51.63 150.14 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.010000000000005 110.858 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.42 14.46 29.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 72.239999999999995 111.051 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -130.82 -40.76 1.18 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 73.140000000000001 110.9 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.2 p -114.94 -13.4 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.510000000000005 110.904 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.31 66.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 73.109999999999999 110.896 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -119.38 118.35 30.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 55.420000000000002 110.896 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 tt -66.19 105.01 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 72.030000000000001 110.916 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -113.35 159.83 19.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 72.209999999999994 110.866 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -89.4 -35.45 16.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.349999999999994 110.857 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.1 82.02 6.75 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.606 0.717 . . . . 74.400000000000006 110.9 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 129.76 18.11 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.263 . . . . 74.030000000000001 112.306 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -86.7 105.98 17.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 74.299999999999997 110.888 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -81.5 122.12 27.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 75.040000000000006 110.847 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 t -85.73 128.41 34.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 62.329999999999998 110.919 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.26 21.76 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 73.109999999999999 110.844 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -118.44 -47.34 2.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 72.430000000000007 110.91 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.1 p -106.23 -15.14 14.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.420000000000002 110.898 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t30 67.36 60.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 54.299999999999997 110.869 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -147.08 153.95 40.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.109999999999999 110.923 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -97.9 141.74 30.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 74.239999999999995 110.893 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -151.5 137.62 18.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 75.040000000000006 110.903 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.5 p -50.28 156.71 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 74.230000000000004 110.886 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.2 p -53.28 -35.68 60.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 63.439999999999998 110.878 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.8 -28.04 68.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 74.329999999999998 110.883 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -117.64 21.26 13.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.200000000000003 110.832 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 -56.34 -36.65 69.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 72.349999999999994 110.881 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.4 mt -51.99 168.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.329999999999998 110.97 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -62.18 1.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 74.129999999999995 110.897 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -30.2 57.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 71.219999999999999 110.91 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -49.82 -53.3 26.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 74.340000000000003 110.872 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -97.19 20.3 11.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 74.25 110.869 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 49.06 56.45 7.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.909 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.3 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 61.109999999999999 110.86 -179.903 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.476 -0.25 . . . . 63.509999999999998 112.476 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.12 136.06 44.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 70.420000000000002 110.887 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -87.92 138.84 31.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 74.299999999999997 110.831 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.7 t -51.66 148.87 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 61.140000000000001 110.855 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.59 15.68 25.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 63.149999999999999 111.105 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -131.0 -40.09 1.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 75.209999999999994 110.915 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.1 p -116.46 -14.09 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 73.040000000000006 110.877 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 62.4 66.61 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 71.140000000000001 110.846 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -119.08 118.15 30.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 62.420000000000002 110.922 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.5 tp -64.76 108.39 1.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 75.450000000000003 110.897 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -118.28 156.93 27.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 71.209999999999994 110.83 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -86.34 -39.92 15.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.430000000000007 110.886 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mt -110.06 83.37 2.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.57 0.7 . . . . 73.25 110.948 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 129.75 18.17 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.638 2.226 . . . . 74.129999999999995 112.396 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -84.08 107.01 16.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 74.409999999999997 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -82.1 121.83 27.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 74.140000000000001 110.862 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.87 130.55 34.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 64.140000000000001 110.875 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.27 19.32 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 74.049999999999997 110.875 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -118.59 -47.45 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 65.219999999999999 110.874 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -106.18 -16.76 14.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 72.400000000000006 110.894 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.6 t30 67.46 60.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.209999999999994 110.865 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -146.67 154.55 41.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.049999999999997 110.854 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -97.88 141.84 30.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 65.120000000000005 110.913 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -150.9 136.7 18.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.319999999999993 110.886 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 p -49.99 159.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 74.230000000000004 110.909 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 p -53.53 -35.36 60.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 71.129999999999995 110.865 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -27.91 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 74.25 110.906 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -118.85 21.47 12.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 71.129999999999995 110.904 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -58.19 -39.12 78.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 73.319999999999993 110.842 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.3 mt -51.75 164.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 72.409999999999997 110.934 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -61.99 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 74.340000000000003 110.916 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -56.94 -29.1 62.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 75.209999999999994 110.895 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.9 -53.43 25.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 72.319999999999993 110.838 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -95.2 21.21 8.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.888 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 51.34 54.87 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.409999999999997 110.865 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.7 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 71.040000000000006 110.911 -179.937 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.515 -0.234 . . . . 64.349999999999994 112.515 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -108.25 129.01 55.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.818 0.342 . . . . 75.230000000000004 110.89 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -81.09 133.32 35.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 72.420000000000002 110.88 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.4 t -50.76 136.01 22.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 73.109999999999999 110.858 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.55 22.39 3.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 75.239999999999995 111.106 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -131.74 -39.08 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 75.109999999999999 110.918 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.6 p -129.37 8.82 5.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 75.319999999999993 110.885 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? 46.87 73.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.530000000000001 110.84 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -120.07 115.65 24.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 75.239999999999995 110.928 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.1 tp -70.43 104.72 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.450000000000003 110.923 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.42 164.15 16.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.340000000000003 110.827 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -92.16 -37.46 12.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.310000000000002 110.849 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.21 82.94 2.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 73.329999999999998 110.928 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 129.64 17.98 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 73.310000000000002 112.344 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -78.25 105.87 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 73.200000000000003 110.835 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -82.48 117.85 22.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.340000000000003 110.864 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 t -85.64 129.03 34.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 70.530000000000001 110.916 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.36 20.5 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 64.420000000000002 110.86 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -118.46 -47.23 2.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 63.119999999999997 110.889 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.4 p -107.63 -14.27 14.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 74.209999999999994 110.859 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 67.23 59.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 71.540000000000006 110.87 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -147.96 148.57 30.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 74.120000000000005 110.93 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -97.94 144.26 27.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 74.349999999999994 110.851 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -151.18 144.32 24.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.140000000000001 110.869 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.1 p -50.3 155.69 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 75.349999999999994 110.836 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.37 -43.43 61.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 72.519999999999996 110.837 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -53.55 -29.91 39.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 74.329999999999998 110.88 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -112.15 20.97 16.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 71.219999999999999 110.83 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -55.39 -34.75 64.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 75.140000000000001 110.871 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.4 mt -55.73 168.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 73.109999999999999 110.921 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -62.3 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.239999999999995 110.871 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -54.85 -29.48 55.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 74.230000000000004 110.862 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -49.86 -53.31 26.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 73.409999999999997 110.849 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -95.94 20.41 10.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 110.834 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 49.01 57.21 6.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.209999999999994 110.811 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 75.040000000000006 110.885 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.522 -0.231 . . . . 53.32 112.522 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.94 131.25 43.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 75.310000000000002 110.863 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -85.65 137.24 32.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 74.109999999999999 110.879 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -51.19 151.15 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 52.240000000000002 110.854 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.9 14.73 27.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 75.340000000000003 111.1 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -130.71 -48.19 1.05 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 74.349999999999994 110.912 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -110.7 -7.53 14.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 73.409999999999997 110.879 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 54.9 70.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 74.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -119.56 113.53 20.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.150000000000006 110.889 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.92 104.85 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 75.349999999999994 110.94 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.72 157.7 22.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 65.019999999999996 110.875 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -90.2 -35.29 15.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 70.030000000000001 110.919 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.87 82.61 6.85 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.65 0.738 . . . . 71.349999999999994 110.893 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 129.66 18.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.71 2.273 . . . . 73.129999999999995 112.358 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -85.37 105.93 16.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 74.030000000000001 110.89 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -78.29 122.38 25.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 72.450000000000003 110.859 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.5 t -85.76 130.33 34.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 73.530000000000001 110.93 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.03 21.76 5.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 61.32 110.866 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -118.34 -47.25 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 75.299999999999997 110.886 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 p -109.36 -14.85 14.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 73.140000000000001 110.887 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.8 t30 67.55 60.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 73.230000000000004 110.885 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -145.36 157.42 44.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 72.329999999999998 110.929 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -97.87 142.63 29.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 71.019999999999996 110.89 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -151.85 137.89 18.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 75.230000000000004 110.898 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.6 p -50.46 159.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 73.319999999999993 110.908 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.5 p -51.88 -46.34 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 73.420000000000002 110.834 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -55.32 -26.37 40.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 53.409999999999997 110.914 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -115.76 21.23 14.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 110.866 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -61.38 -35.57 77.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 74.510000000000005 110.881 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.8 mt -54.71 166.78 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 73.430000000000007 110.91 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -62.43 1.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 73.010000000000005 110.906 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -57.51 -27.92 62.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 73.409999999999997 110.895 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -49.82 -53.51 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 75.340000000000003 110.854 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -95.18 20.05 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 75.430000000000007 110.892 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 47.75 59.07 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.120000000000005 110.883 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.0 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 62.439999999999998 110.873 -179.925 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.1 mtt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.746 0.308 . . . . 75.140000000000001 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.54 116.68 8.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 74.430000000000007 110.957 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 51.99 59.99 4.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.040000000000006 110.911 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.3 m -83.05 55.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 70.409999999999997 111.116 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.09 152.67 27.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.694 -0.765 . . . . 71.109999999999999 112.491 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.77 139.55 39.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.802 0.334 . . . . 72.310000000000002 110.873 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -91.21 138.41 31.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 75.420000000000002 110.851 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.1 t -51.85 147.88 6.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 63.530000000000001 110.843 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.82 15.97 23.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.230000000000004 111.096 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -131.04 -40.2 1.17 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.24 -0.436 . . . . 74.439999999999998 110.943 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.0 p -116.62 -14.3 10.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 70.439999999999998 110.867 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.5 mmm-85 62.52 66.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.319999999999993 110.864 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -119.11 117.01 27.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 73.140000000000001 110.923 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.85 107.84 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 72.329999999999998 110.893 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.1 157.0 27.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 73.310000000000002 110.875 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -86.28 -39.0 16.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 74.329999999999998 110.869 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.37 83.12 3.03 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.564 0.697 . . . . 74.409999999999997 110.896 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.79 18.17 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 71.439999999999998 112.372 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -84.53 107.82 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 73.519999999999996 110.834 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -82.98 121.86 27.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 74.329999999999998 110.881 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.74 129.86 34.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 65.510000000000005 110.868 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.19 19.85 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 75.329999999999998 110.808 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.51 -47.41 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 75.120000000000005 110.905 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.7 p -106.42 -16.03 14.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 61.43 110.894 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 67.54 60.28 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 75.140000000000001 110.851 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -146.78 153.74 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 65.150000000000006 110.845 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.89 141.82 30.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 75.310000000000002 110.883 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -150.56 137.95 19.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 70.319999999999993 110.856 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.8 p -50.16 157.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 64.430000000000007 110.889 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.09 -36.08 60.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 54.100000000000001 110.872 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.73 -28.78 68.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 75.310000000000002 110.923 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -117.57 21.35 13.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 73.450000000000003 110.851 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.3 ptt-85 -55.65 -37.54 68.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 74.140000000000001 110.834 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.6 mt -53.33 167.64 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 74.420000000000002 110.93 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.9 -61.31 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 75.230000000000004 110.935 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -54.79 -29.53 54.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 72.140000000000001 110.865 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -49.86 -53.37 26.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 73.340000000000003 110.891 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -96.44 20.88 9.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 75.400000000000006 110.866 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 50.43 55.63 9.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 73.420000000000002 110.879 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.2 t -51.84 126.24 17.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.120000000000005 110.852 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -53.03 -35.62 59.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 73.010000000000005 110.868 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 35.8 t90 -59.94 -41.39 91.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 75.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.5 mt -64.56 -41.94 95.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 75.5 110.908 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mt -70.89 -35.91 72.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 75.409999999999997 110.948 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -57.95 -36.53 72.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 73.329999999999998 110.881 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -126.5 83.3 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 72.450000000000003 110.868 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.97 96.99 5.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 71.209999999999994 110.883 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.59 146.79 52.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 75.409999999999997 110.899 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 55.219999999999999 111.144 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.2 ptt? . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.826 0.346 . . . . 75.340000000000003 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mt -143.04 -166.3 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 72.310000000000002 110.933 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 60.23 96.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 74.120000000000005 110.88 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.1 m -83.9 55.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 72.400000000000006 111.104 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.02 123.23 7.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 53.310000000000002 112.487 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.0 136.36 43.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 64.400000000000006 110.902 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -85.77 135.56 33.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 74.540000000000006 110.825 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.9 t -51.63 142.52 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.340000000000003 110.856 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.44 18.54 11.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.519999999999996 111.083 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -131.35 -41.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 75.409999999999997 110.878 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.5 p -116.04 -17.9 10.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 73.040000000000006 110.869 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 66.65 63.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 75.310000000000002 110.897 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -119.18 114.94 23.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 75.209999999999994 110.931 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.98 110.09 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 75.310000000000002 110.919 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.94 157.41 27.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 74.400000000000006 110.841 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -85.98 -39.22 17.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 73.150000000000006 110.899 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.86 81.98 2.83 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.636 0.731 . . . . 74.310000000000002 110.902 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 129.69 18.02 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.283 . . . . 73.319999999999993 112.314 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -83.18 113.4 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 73.200000000000003 110.931 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -87.87 120.71 29.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 74.030000000000001 110.898 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.74 129.89 34.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 43.039999999999999 110.846 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.09 19.58 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 70.310000000000002 110.862 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.47 -47.51 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 74.549999999999997 110.883 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.9 p -106.24 -16.32 14.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 75.109999999999999 110.884 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 t30 67.25 60.26 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 73.219999999999999 110.904 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -146.85 154.02 40.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.340000000000003 110.882 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -97.76 141.6 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 62.210000000000001 110.883 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -150.48 136.47 18.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 74.510000000000005 110.865 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 p -49.9 159.62 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 65.239999999999995 110.861 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -53.57 -35.2 60.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 51.130000000000003 110.851 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -27.86 69.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 73.129999999999995 110.9 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -118.98 21.4 12.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 72.219999999999999 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -58.31 -39.1 78.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 75.200000000000003 110.841 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.2 mt -51.83 163.79 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 74.209999999999994 110.928 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.63 -62.17 1.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 75.040000000000006 110.866 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -56.63 -29.44 62.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 74.310000000000002 110.858 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.97 -53.44 26.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 73.299999999999997 110.861 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -95.33 20.97 8.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.530000000000001 110.899 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 50.63 56.11 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.409999999999997 110.874 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.3 t -51.82 125.14 14.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 74.140000000000001 110.881 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -53.07 -35.71 59.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 75.530000000000001 110.858 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -60.36 -39.96 89.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 72.5 110.897 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mt -65.37 -36.84 85.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 73.230000000000004 110.873 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.54 -54.76 9.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 72.430000000000007 110.942 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.91 -36.17 76.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 74.109999999999999 110.925 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -121.54 84.04 2.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 72.409999999999997 110.906 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -114.93 102.47 10.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 73.519999999999996 110.883 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -122.99 135.59 54.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 73.409999999999997 110.89 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.8 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 74.340000000000003 111.069 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.812 0.339 . . . . 74.299999999999997 110.86 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.98 107.47 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 75.200000000000003 110.861 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -146.33 65.64 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 71.209999999999994 110.891 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 m -82.71 55.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 64.420000000000002 111.104 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -128.26 147.15 17.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 64.530000000000001 112.473 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.84 139.43 38.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.329 . . . . 74.319999999999993 110.915 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -91.62 137.65 32.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 71.519999999999996 110.871 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.0 t -51.49 148.18 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 72.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.85 15.82 24.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 70.219999999999999 111.065 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -130.92 -40.02 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 75.430000000000007 110.943 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.8 p -116.16 -15.03 11.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.517 . . . . 73.239999999999995 110.88 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.0 mmm-85 62.93 66.1 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.129999999999995 110.836 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -119.14 117.29 28.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.209999999999994 110.934 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.61 107.6 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 72.439999999999998 110.909 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.04 158.79 23.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 74.140000000000001 110.876 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -87.62 -39.6 14.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mt -110.32 83.1 2.98 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.605 0.717 . . . . 75.310000000000002 110.895 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 129.74 18.08 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.707 2.271 . . . . 64.340000000000003 112.333 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -84.82 106.38 16.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.340000000000003 110.841 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -81.29 122.6 27.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 74.329999999999998 110.84 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.74 129.89 34.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 75.219999999999999 110.898 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.33 19.99 7.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 54.219999999999999 110.861 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.57 -47.37 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 75.030000000000001 110.903 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.8 p -106.07 -16.63 14.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 63.240000000000002 110.919 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 67.68 60.34 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 73.099999999999994 110.911 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -146.41 155.71 42.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.892 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -97.83 141.67 30.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 74.109999999999999 110.894 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -151.25 136.74 17.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 65.219999999999999 110.867 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.2 p -50.21 157.49 0.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 72.010000000000005 110.866 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.2 m -53.23 -36.37 60.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.439999999999998 110.842 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -28.18 68.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 73.219999999999999 110.906 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -118.61 21.28 12.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 75.319999999999993 110.871 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.0 ptt85 -55.28 -38.75 69.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 73.510000000000005 110.898 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -51.83 167.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 71.450000000000003 110.887 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.06 -61.53 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.239999999999995 110.923 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -54.72 -29.5 53.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 73.319999999999993 110.881 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -49.83 -53.37 25.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 74.349999999999994 110.936 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -96.67 20.93 10.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 65.430000000000007 110.864 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 50.59 55.6 9.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 71.430000000000007 110.843 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.0 t -51.8 126.74 18.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 70.140000000000001 110.875 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -52.93 -35.54 58.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 72.010000000000005 110.872 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 36.2 t90 -59.91 -41.53 91.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 72.310000000000002 110.863 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.5 mt -64.46 -41.56 96.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 75.5 110.908 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.27 -35.85 71.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 74.530000000000001 110.942 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.97 -36.31 72.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 110.885 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -110.28 61.56 0.6 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 75.150000000000006 110.816 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.41 80.0 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 61.130000000000003 110.905 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 53.25 -172.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 74.519999999999996 110.894 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 74.530000000000001 111.137 179.927 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.1 mtt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.829 0.347 . . . . 73.420000000000002 110.894 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mt -143.68 -166.41 2.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 71.519999999999996 110.979 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.14 40.78 1.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 74.340000000000003 110.906 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.8 m -79.39 58.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 73.129999999999995 111.134 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.08 148.02 6.51 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 72.420000000000002 112.499 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.7 132.34 50.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 71.150000000000006 110.938 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -83.85 137.97 33.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 71.430000000000007 110.876 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.8 t -51.58 148.72 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 61.520000000000003 110.843 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.2 15.61 25.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 72.310000000000002 111.126 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -131.0 -40.18 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 75.140000000000001 110.919 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.5 p -116.21 -14.22 11.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 63.229999999999997 110.878 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 62.4 66.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 74.120000000000005 110.834 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -119.2 118.42 31.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.219999999999999 110.889 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.3 tp -65.26 107.58 1.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 73.109999999999999 110.953 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -117.3 157.76 25.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 64.310000000000002 110.903 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -87.54 -38.08 16.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 75.329999999999998 110.924 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.05 82.05 3.0 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.604 0.716 . . . . 63.420000000000002 110.909 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 129.72 18.12 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.696 2.264 . . . . 70.319999999999993 112.343 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -84.31 110.18 18.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 74.109999999999999 110.869 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -84.83 121.26 27.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 73.340000000000003 110.882 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.77 130.03 34.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 73.049999999999997 110.89 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.36 19.64 8.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.209999999999994 110.879 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -118.55 -47.38 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 74.319999999999993 110.915 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -106.12 -16.4 14.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 71.439999999999998 110.919 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 t30 67.24 60.24 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 74.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -146.93 153.95 40.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 73.439999999999998 110.899 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -97.9 141.87 30.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 72.530000000000001 110.865 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -150.77 137.2 18.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.140000000000001 110.881 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.9 p -49.97 159.2 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 64.310000000000002 110.891 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.43 -35.58 60.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 75.420000000000002 110.84 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.2 -28.08 69.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 72.329999999999998 110.877 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -118.6 21.35 12.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 73.540000000000006 110.847 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -57.58 -39.22 76.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.219999999999999 110.894 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.7 mt -51.6 164.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 62.539999999999999 110.912 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -62.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 75.420000000000002 110.895 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -56.62 -29.48 62.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 70.420000000000002 110.901 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.93 -53.39 26.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 74.450000000000003 110.856 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -95.43 21.06 8.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.239999999999995 110.837 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 50.89 55.88 8.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 73.25 110.835 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.4 t -51.89 124.49 12.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 74.200000000000003 110.879 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -52.98 -35.66 59.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.219999999999999 110.906 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -59.99 -40.09 87.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.310000000000002 110.919 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mt -65.49 -36.94 85.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.230000000000004 110.921 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.9 mt -71.61 -54.99 8.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 73.5 110.918 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -59.7 -35.98 75.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 75.299999999999997 110.922 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -122.38 79.18 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 74.25 110.872 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.62 103.02 12.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 73.109999999999999 110.866 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.9 144.57 56.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 63.43 110.884 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 75.129999999999995 111.142 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 mtp . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.809 0.338 . . . . 74.140000000000001 110.9 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.08 114.22 8.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 73.109999999999999 110.855 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -98.26 66.51 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 74.450000000000003 110.875 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 m -83.17 55.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 75.450000000000003 111.18 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.41 126.12 5.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.695 -0.764 . . . . 75.519999999999996 112.493 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.89 139.67 40.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.792 0.329 . . . . 75.400000000000006 110.915 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -90.45 138.31 31.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 73.530000000000001 110.831 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.5 t -51.74 146.85 7.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 75.109999999999999 110.867 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.37 16.56 19.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 72.439999999999998 111.117 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -131.16 -43.51 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 73.430000000000007 110.927 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.8 p -113.03 -15.09 12.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 71.049999999999997 110.897 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 63.43 66.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 74.329999999999998 110.858 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -119.11 116.81 27.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 74.430000000000007 110.943 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.13 107.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 64.329999999999998 110.958 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -116.89 155.5 28.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 74.209999999999994 110.863 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -85.06 -39.37 18.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 74.329999999999998 110.884 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 mt -110.51 83.25 3.21 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.597 0.713 . . . . 73.400000000000006 110.92 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 129.71 18.13 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.721 2.281 . . . . 74.120000000000005 112.364 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -87.12 109.53 19.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 73.420000000000002 110.86 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -84.91 123.34 30.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 72.219999999999999 110.872 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.4 t -85.85 129.73 34.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 75.140000000000001 110.855 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.36 20.78 6.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 72.400000000000006 110.835 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -118.45 -47.35 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 71.140000000000001 110.904 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 p -107.23 -14.0 15.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 61.520000000000003 110.86 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 67.01 60.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 74.530000000000001 110.9 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -147.7 150.51 34.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 74.099999999999994 110.866 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -97.95 143.16 28.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 75.430000000000007 110.881 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -150.83 141.73 22.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.510000000000005 110.876 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.6 p -50.03 157.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 74.010000000000005 110.901 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.7 p -51.81 -46.22 64.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 74.049999999999997 110.847 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -53.98 -27.31 30.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 75.230000000000004 110.896 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -115.63 21.37 14.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 72.549999999999997 110.868 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -59.47 -35.05 73.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 75.299999999999997 110.86 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.9 mt -54.51 169.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 75.310000000000002 110.9 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.08 -62.21 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 74.439999999999998 110.888 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -54.97 -29.64 57.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 75.540000000000006 110.838 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -49.88 -53.37 26.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 62.149999999999999 110.844 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -96.39 20.41 10.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 74.430000000000007 110.899 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 49.03 56.61 7.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 73.409999999999997 110.894 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.8 t -51.96 132.61 32.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 73.310000000000002 110.896 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -54.65 -35.78 63.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 71.319999999999993 110.871 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 42.3 t90 -57.07 -45.21 83.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 71.329999999999998 110.91 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.68 -39.93 86.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 74.129999999999995 110.923 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.6 mt -72.3 -36.06 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 73.519999999999996 110.91 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -37.14 74.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 74.5 110.868 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -108.03 74.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 63.420000000000002 110.871 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.69 84.28 7.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 72.239999999999995 110.875 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -61.79 137.55 58.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 75.230000000000004 110.908 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 71.349999999999994 111.112 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.3 mtt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.799 0.333 . . . . 75.109999999999999 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.73 -165.44 1.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 75.25 110.91 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -109.25 44.2 1.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 61.43 110.865 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.2 m -82.97 55.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 74.049999999999997 111.111 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.1 138.82 9.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.795 -0.716 . . . . 45.009999999999998 112.509 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.96 136.61 41.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 74.409999999999997 110.907 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -89.28 136.14 33.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 72.120000000000005 110.825 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.3 t -51.45 144.17 10.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 72.510000000000005 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.38 18.66 12.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.230000000000004 111.075 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -131.27 -44.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 73.549999999999997 110.911 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 p -114.44 -16.11 11.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 72.409999999999997 110.896 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 66.05 68.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 75.450000000000003 110.845 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -119.74 113.58 20.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 75.5 110.869 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.21 104.94 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 73.219999999999999 110.945 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.22 162.37 17.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 54.130000000000003 110.9 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -91.67 -38.05 12.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 71.530000000000001 110.919 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.65 82.14 2.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 71.150000000000006 110.906 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 129.8 18.21 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.672 2.248 . . . . 72.140000000000001 112.337 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -84.34 105.93 15.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 74.430000000000007 110.846 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -82.23 122.26 27.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 72.109999999999999 110.882 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -85.78 129.75 34.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 73.519999999999996 110.88 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.03 20.34 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 110.864 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.55 -47.3 2.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 74.430000000000007 110.866 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.3 p -106.95 -14.87 14.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 52.530000000000001 110.86 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 67.28 60.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 74.129999999999995 110.882 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -147.54 150.4 34.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 75.430000000000007 110.85 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.89 143.78 28.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.430000000000007 110.876 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -151.5 140.55 21.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 72.319999999999993 110.899 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.3 p -50.04 157.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 74.209999999999994 110.907 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.52 -35.83 61.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 64.140000000000001 110.88 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.46 -27.48 68.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 74.129999999999995 110.856 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -118.14 21.31 12.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 74.439999999999998 110.816 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -57.27 -36.91 71.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 73.430000000000007 110.873 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.0 mt -52.45 168.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 64.430000000000007 110.934 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -62.31 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 75.430000000000007 110.873 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -55.0 -29.54 57.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 72.420000000000002 110.916 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -49.9 -53.28 27.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 72.409999999999997 110.905 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -96.29 20.57 10.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 75.040000000000006 110.798 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 49.11 56.8 7.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.430000000000007 110.897 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.4 t -52.5 131.03 33.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.150000000000006 110.89 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -53.27 -35.89 60.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 72.430000000000007 110.84 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -56.62 -42.22 78.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 71.510000000000005 110.883 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.15 -35.88 82.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 74.219999999999999 110.938 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.7 -55.03 8.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.329999999999998 110.911 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.2 -36.4 77.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 73.040000000000006 110.905 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -116.51 82.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 74.049999999999997 110.834 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.36 106.07 13.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 74.510000000000005 110.868 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -115.71 106.26 13.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 72.439999999999998 110.864 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.9 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 74.319999999999993 111.109 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.771 0.32 . . . . 72.299999999999997 110.849 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.33 -165.49 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 74.530000000000001 110.945 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -151.18 96.89 2.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 74.439999999999998 110.88 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.5 m -83.36 55.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 74.409999999999997 111.123 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -129.65 148.6 18.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 73.030000000000001 112.47 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.53 139.02 39.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.789 0.328 . . . . 72.340000000000003 110.898 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -91.08 138.68 31.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 74.109999999999999 110.886 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.5 t -51.44 148.65 4.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 74.450000000000003 110.875 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.56 15.66 25.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 72.510000000000005 111.122 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -130.95 -40.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.150000000000006 110.926 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.7 p -116.79 -13.8 10.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.067 -0.515 . . . . 73.030000000000001 110.834 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.8 mmm-85 62.25 66.77 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 73.25 110.849 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -119.09 118.21 30.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 74.420000000000002 110.913 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.77 108.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 74.430000000000007 110.938 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -118.73 156.2 29.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 71.030000000000001 110.904 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -85.97 -39.07 17.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 74.519999999999996 110.862 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mt -110.18 83.16 2.92 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.605 0.717 . . . . 74.129999999999995 110.941 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 129.77 18.19 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.716 2.277 . . . . 75.329999999999998 112.328 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -83.88 108.04 16.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 74.319999999999993 110.86 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -83.1 120.93 26.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 73.239999999999995 110.845 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.77 129.59 34.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 75.030000000000001 110.858 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.96 19.94 7.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 54.509999999999998 110.876 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -118.49 -47.36 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 73.349999999999994 110.896 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.8 p -106.82 -16.17 14.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 72.200000000000003 110.87 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t30 67.48 60.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 70.209999999999994 110.846 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -146.82 153.4 40.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 74.439999999999998 110.88 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -97.85 141.7 30.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.230000000000004 110.875 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -150.42 137.34 19.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 75.219999999999999 110.884 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 p -49.89 159.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 62.530000000000001 110.9 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -53.18 -36.14 60.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.420000000000002 110.855 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.35 -28.82 69.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 74.010000000000005 110.893 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -117.15 21.27 13.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 75.5 110.844 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -57.47 -38.59 74.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 75.049999999999997 110.899 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.2 mt -52.42 165.62 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 74.209999999999994 110.915 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -62.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 72.099999999999994 110.947 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -56.92 -29.1 62.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 72.040000000000006 110.902 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.93 -53.44 26.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 74.319999999999993 110.869 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -95.08 21.03 8.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 72.040000000000006 110.848 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 50.41 55.86 8.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 73.239999999999995 110.871 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.0 t -51.93 125.57 15.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 73.010000000000005 110.885 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -53.33 -35.69 60.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 73.030000000000001 110.874 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 36.3 t90 -60.46 -39.89 89.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 75.530000000000001 110.891 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mt -65.24 -37.34 86.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 72.209999999999994 110.902 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.1 mt -71.3 -54.94 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 73.5 110.916 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -59.96 -35.82 75.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.310000000000002 110.843 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -131.44 86.01 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 75.329999999999998 110.85 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.03 86.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 71.200000000000003 110.878 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -58.88 176.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 70.340000000000003 110.901 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 71.109999999999999 111.136 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.788 0.328 . . . . 74.540000000000006 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.06 107.52 11.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 73.209999999999994 110.869 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.91 100.58 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 73.129999999999995 110.866 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.5 m -83.33 55.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 73.120000000000005 111.095 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.97 161.22 21.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 74.439999999999998 112.525 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -103.19 134.82 45.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 73.340000000000003 110.909 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -89.68 138.68 31.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 74.409999999999997 110.861 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 t -51.26 149.0 4.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 75.510000000000005 110.862 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.94 16.34 22.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 75.230000000000004 111.084 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -130.93 -45.33 1.04 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 75.510000000000005 110.972 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.4 p -113.02 -12.53 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 64.120000000000005 110.897 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.52 70.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 72.230000000000004 110.886 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -119.65 113.68 21.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 73.25 110.923 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.94 104.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 74.040000000000006 110.924 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.04 162.83 16.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 110.872 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -92.73 -39.35 11.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 72.450000000000003 110.896 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.91 83.78 3.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.74 . . . . 72.099999999999994 110.866 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 129.92 18.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.281 . . . . 73.340000000000003 112.328 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -86.34 106.91 17.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 75.150000000000006 110.893 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -79.29 125.57 29.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 75.319999999999993 110.9 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.1 t -85.93 132.27 34.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 73.329999999999998 110.858 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.03 17.67 9.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 75.019999999999996 110.863 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.9 m-30 -116.61 -47.2 2.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 74.519999999999996 110.927 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.7 p -107.93 -16.96 14.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 73.340000000000003 110.926 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 t30 67.7 60.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 75.319999999999993 110.91 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -144.07 160.13 41.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 74.230000000000004 110.857 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -97.82 142.0 30.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 64.299999999999997 110.872 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -151.77 136.93 17.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.319999999999993 110.863 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.5 p -50.44 159.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 65.530000000000001 110.864 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.3 p -53.66 -35.75 61.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 74.310000000000002 110.876 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.37 -27.14 68.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 71.519999999999996 110.916 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -119.21 21.31 12.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.25 110.861 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.43 -38.89 78.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 75.549999999999997 110.839 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.5 mt -54.24 167.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.450000000000003 110.933 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -61.95 1.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 75.239999999999995 110.932 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.63 -27.08 37.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 73.530000000000001 110.917 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -49.87 -53.24 26.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 74.299999999999997 110.888 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -97.68 19.37 13.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.409999999999997 110.865 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 46.49 61.87 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 65.120000000000005 110.825 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.8 t -50.83 137.1 21.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 71.209999999999994 110.872 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -52.59 -38.84 60.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 74.519999999999996 110.916 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 42.5 t90 -56.68 -42.07 78.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 74.450000000000003 110.884 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 mt -63.49 -36.03 82.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 74.510000000000005 110.946 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.1 mt -71.05 -54.86 9.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 74.25 110.895 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -61.95 -36.14 80.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 73.209999999999994 110.899 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -126.98 88.97 2.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.140000000000001 110.836 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.41 101.96 11.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 74.200000000000003 110.881 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -85.57 161.56 19.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 72.530000000000001 110.877 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 72.129999999999995 111.076 179.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 mtt . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.813 0.34 . . . . 73.420000000000002 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mt -138.44 114.06 9.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 74.400000000000006 110.918 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.89 64.19 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 70.010000000000005 110.833 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.9 m -82.26 56.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 75.219999999999999 111.144 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -128.1 146.64 16.87 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.787 -0.721 . . . . 63.439999999999998 112.505 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -102.89 139.69 38.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 75.530000000000001 110.875 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -91.27 138.06 31.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 73.530000000000001 110.844 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.9 t -51.63 148.63 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 73.510000000000005 110.875 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.18 15.75 25.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 72.219999999999999 111.124 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -131.05 -40.13 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 75.140000000000001 110.957 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.7 p -116.25 -14.51 11.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 75.310000000000002 110.838 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 62.58 66.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 75.409999999999997 110.886 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -119.16 118.24 30.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 72.409999999999997 110.917 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.0 tp -65.05 107.68 1.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.430000000000007 110.942 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.34 156.34 28.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 72.510000000000005 110.864 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -85.57 -39.48 17.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 75.5 110.863 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mt -110.09 83.41 3.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.567 0.698 . . . . 75.209999999999994 110.921 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 129.99 18.51 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 73.030000000000001 112.349 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -87.85 112.17 22.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 74.239999999999995 110.859 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -84.05 125.24 31.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 73.099999999999994 110.874 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.5 t -85.96 131.67 34.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 64.420000000000002 110.829 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.03 18.27 8.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 72.239999999999995 110.87 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.9 m-30 -116.53 -47.25 2.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 72.510000000000005 110.862 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.4 p -108.07 -17.05 14.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 75.010000000000005 110.878 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 67.91 60.38 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 71.340000000000003 110.88 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -144.0 160.86 40.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 71.329999999999998 110.841 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -97.87 141.64 30.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 73.329999999999998 110.842 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -151.37 135.88 16.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 72.140000000000001 110.888 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.7 p -50.41 158.82 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 74.010000000000005 110.91 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -34.93 60.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 70.409999999999997 110.857 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.99 -27.06 69.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 75.409999999999997 110.891 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -120.05 21.48 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 64.140000000000001 110.872 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -58.15 -39.8 79.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 75.310000000000002 110.868 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -52.75 168.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 74.439999999999998 110.896 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -62.21 1.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.340000000000003 110.94 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -27.17 39.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 72.129999999999995 110.886 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -49.88 -53.28 26.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.477 . . . . 73.230000000000004 110.811 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -97.6 19.35 13.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 72.140000000000001 110.838 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 46.2 61.96 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 74.099999999999994 110.875 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.0 t -50.48 135.62 22.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 62.409999999999997 110.912 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 -52.5 -41.76 63.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 75.519999999999996 110.864 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 41.8 t90 -57.07 -39.21 74.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 75.439999999999998 110.948 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.12 -36.01 82.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 71.129999999999995 110.895 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.64 -54.85 9.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 75.409999999999997 110.962 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -61.69 -37.34 83.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 74.239999999999995 110.814 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -118.92 85.05 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 71.099999999999994 110.842 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.4 88.53 6.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 70.439999999999998 110.889 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -55.3 174.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 65.140000000000001 110.908 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.3 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 64.329999999999998 111.133 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.3 ptp . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.794 0.33 . . . . 72.230000000000004 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mt -138.84 112.81 8.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 73.230000000000004 110.901 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -142.42 69.83 1.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 74.230000000000004 110.894 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -119.81 26.4 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 71.25 111.166 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.8 154.64 26.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 73.209999999999994 112.497 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 132.27 53.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.815 0.34 . . . . 73.230000000000004 110.875 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -82.82 138.3 34.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 74.319999999999993 110.873 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 t -51.68 147.77 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 110.854 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.77 16.14 23.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 61.310000000000002 111.094 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -130.93 -40.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 74.409999999999997 110.889 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.0 p -116.06 -15.42 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 74.319999999999993 110.856 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.59 65.91 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 75.25 110.87 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -119.21 117.28 28.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.010000000000005 110.901 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 tt -64.01 108.51 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.109999999999999 110.903 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.17 158.01 25.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 73.140000000000001 110.855 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -87.42 -38.17 16.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 71.530000000000001 110.871 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.94 81.94 2.86 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.615 0.722 . . . . 73.409999999999997 110.911 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.74 18.17 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.743 2.295 . . . . 71.129999999999995 112.326 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -83.97 111.35 19.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 110.865 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -86.04 121.06 28.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 73.310000000000002 110.872 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.78 130.02 34.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 73.349999999999994 110.908 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.17 19.42 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 75.430000000000007 110.879 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -118.43 -47.44 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 71.420000000000002 110.926 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -106.08 -16.64 14.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 72.109999999999999 110.899 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 67.36 60.21 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 74.530000000000001 110.864 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -146.91 153.84 40.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 75.230000000000004 110.873 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -97.84 141.61 30.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 73.129999999999995 110.863 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -150.36 137.05 19.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 71.099999999999994 110.906 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 p -50.0 159.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 75.030000000000001 110.9 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.0 t -53.59 -35.09 60.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.230000000000004 110.864 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -62.81 -27.85 69.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 65.549999999999997 110.917 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -118.99 21.41 12.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 74.430000000000007 110.837 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -57.86 -39.3 77.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 74.340000000000003 110.883 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.9 mt -51.63 164.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.45 -62.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 54.030000000000001 110.87 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -56.48 -29.55 61.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 74.340000000000003 110.909 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.96 -53.34 27.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 75.299999999999997 110.876 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -95.43 21.15 8.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 72.120000000000005 110.884 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 50.95 55.57 9.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 75.329999999999998 110.843 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.6 t -51.79 125.44 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 74.329999999999998 110.925 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -53.29 -35.71 60.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 72.010000000000005 110.877 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 37.8 t90 -59.38 -39.81 84.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 73.519999999999996 110.901 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.7 mt -66.3 -35.95 81.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 74.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mt -72.16 -55.03 7.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 74.409999999999997 110.906 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.05 -36.1 74.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 72.219999999999999 110.89 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -122.68 82.4 1.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 74.310000000000002 110.825 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.02 78.35 1.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 74.319999999999993 110.874 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.33 145.59 29.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.400000000000006 110.894 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.7 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 73.219999999999999 111.158 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.801 0.334 . . . . 74.209999999999994 110.92 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.81 116.16 8.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 65.209999999999994 110.892 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -154.74 95.3 1.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 74.239999999999995 110.873 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.6 m -83.43 55.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 73.530000000000001 111.109 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.06 138.59 8.64 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 55.509999999999998 112.464 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.46 136.99 43.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 71.150000000000006 110.867 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -90.3 137.97 31.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 72.219999999999999 110.876 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.9 t -51.58 146.34 7.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 62.409999999999997 110.917 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.47 17.43 16.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 74.040000000000006 111.1 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -131.15 -46.71 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.439999999999998 110.891 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.0 p -111.22 -14.83 13.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 73.299999999999997 110.868 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 63.98 69.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 72.439999999999998 110.878 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -119.69 113.56 20.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 73.310000000000002 110.95 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.11 104.96 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 73.129999999999995 110.933 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.97 163.39 15.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 62.509999999999998 110.85 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -92.27 -39.97 11.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 75.150000000000006 110.873 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -109.81 83.64 2.92 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.585 0.707 . . . . 74.230000000000004 110.9 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 129.82 18.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 74.109999999999999 112.356 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -84.85 105.92 15.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.439999999999998 110.833 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -80.95 123.8 28.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 73.019999999999996 110.86 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.94 130.88 34.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 55.020000000000003 110.877 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.83 19.12 7.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 74.400000000000006 110.858 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -118.57 -47.29 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 74.430000000000007 110.894 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.7 p -106.22 -17.45 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 71.519999999999996 110.868 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 67.62 60.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 74.340000000000003 110.9 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -145.51 156.12 43.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 73.5 110.889 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.96 141.57 30.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 73.010000000000005 110.829 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -151.73 137.23 17.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 73.219999999999999 110.879 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.6 p -49.89 158.1 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 74.030000000000001 110.897 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.7 p -53.5 -35.46 60.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 73.310000000000002 110.881 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -27.35 68.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 73.5 110.871 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -118.46 21.22 12.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.150000000000006 110.891 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.5 ptt-85 -56.71 -35.99 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 75.319999999999993 110.907 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.2 mt -54.86 168.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 73.230000000000004 110.917 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.08 -61.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.430000000000007 110.898 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -29.37 52.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.430000000000007 110.896 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -49.93 -53.38 26.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 74.450000000000003 110.862 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -96.61 21.1 9.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.835 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 51.05 54.45 11.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 63.409999999999997 110.877 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.4 t -52.18 124.31 12.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 63.210000000000001 110.901 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -35.69 58.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 74.049999999999997 110.873 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 41.6 t90 -56.69 -44.67 81.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 73.030000000000001 110.924 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 mt -62.24 -38.48 89.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 75.120000000000005 110.953 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.5 mt -72.54 -37.29 68.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 74.129999999999995 110.915 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.12 -36.24 72.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.109999999999999 110.901 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -99.46 58.34 1.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 75.120000000000005 110.859 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -100.8 91.69 4.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 72.519999999999996 110.9 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -116.43 41.92 2.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 70.129999999999995 110.904 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.7 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 75.540000000000006 111.121 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.2 mmm . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.864 0.364 . . . . 73.120000000000005 110.877 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mt -143.32 -166.41 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 72.109999999999999 110.923 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.71 101.53 1.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 70.049999999999997 110.851 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.5 m -81.44 56.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 63.140000000000001 111.104 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -126.11 142.49 13.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 54.009999999999998 112.518 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 135.14 42.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 74.120000000000005 110.912 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -86.83 136.67 32.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 72.120000000000005 110.894 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 t -51.63 150.14 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.010000000000005 110.858 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.42 14.46 29.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 72.239999999999995 111.051 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -130.82 -40.76 1.18 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 73.140000000000001 110.9 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.2 p -114.94 -13.4 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.510000000000005 110.904 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.31 66.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 73.109999999999999 110.896 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -119.38 118.35 30.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 55.420000000000002 110.896 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 tt -66.19 105.01 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 72.030000000000001 110.916 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -113.35 159.83 19.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 72.209999999999994 110.866 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -89.4 -35.45 16.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.349999999999994 110.857 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.1 82.02 6.75 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.606 0.717 . . . . 74.400000000000006 110.9 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 129.76 18.11 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.263 . . . . 74.030000000000001 112.306 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -86.7 105.98 17.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 74.299999999999997 110.888 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -81.5 122.12 27.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 75.040000000000006 110.847 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 t -85.73 128.41 34.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 62.329999999999998 110.919 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.26 21.76 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 73.109999999999999 110.844 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -118.44 -47.34 2.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 72.430000000000007 110.91 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.1 p -106.23 -15.14 14.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.420000000000002 110.898 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t30 67.36 60.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 54.299999999999997 110.869 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -147.08 153.95 40.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.109999999999999 110.923 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -97.9 141.74 30.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 74.239999999999995 110.893 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -151.5 137.62 18.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 75.040000000000006 110.903 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.5 p -50.28 156.71 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 74.230000000000004 110.886 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.2 p -53.28 -35.68 60.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 63.439999999999998 110.878 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.8 -28.04 68.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 74.329999999999998 110.883 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -117.64 21.26 13.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.200000000000003 110.832 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 -56.34 -36.65 69.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 72.349999999999994 110.881 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.4 mt -51.99 168.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.329999999999998 110.97 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -62.18 1.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 74.129999999999995 110.897 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -30.2 57.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 71.219999999999999 110.91 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -49.82 -53.3 26.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 74.340000000000003 110.872 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -97.19 20.3 11.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 74.25 110.869 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 49.06 56.45 7.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.909 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.3 t -51.72 128.53 23.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 61.109999999999999 110.86 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.94 -35.87 59.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 75.329999999999998 110.882 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 39.1 t90 -60.13 -40.26 89.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 71.209999999999994 110.882 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 mt -63.81 -36.09 82.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 62.43 110.94 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mt -72.21 -54.93 8.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 64.420000000000002 110.89 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -61.36 -36.1 79.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 74.209999999999994 110.882 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -125.36 80.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 75.420000000000002 110.829 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.24 87.14 6.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 74.239999999999995 110.919 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -52.8 149.65 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 75.299999999999997 110.914 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 74.5 111.159 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.756 0.312 . . . . 74.299999999999997 110.901 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.12 114.86 8.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 73.409999999999997 110.89 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 58.95 91.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 72.310000000000002 110.877 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.64 26.54 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 71.319999999999993 111.136 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.66 150.65 9.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 63.509999999999998 112.476 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.12 136.06 44.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 70.420000000000002 110.887 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -87.92 138.84 31.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 74.299999999999997 110.831 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.7 t -51.66 148.87 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 61.140000000000001 110.855 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.59 15.68 25.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 63.149999999999999 111.105 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -131.0 -40.09 1.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 75.209999999999994 110.915 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.1 p -116.46 -14.09 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 73.040000000000006 110.877 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 62.4 66.61 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 71.140000000000001 110.846 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -119.08 118.15 30.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 62.420000000000002 110.922 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.5 tp -64.76 108.39 1.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 75.450000000000003 110.897 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -118.28 156.93 27.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 71.209999999999994 110.83 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -86.34 -39.92 15.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.430000000000007 110.886 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mt -110.06 83.37 2.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.57 0.7 . . . . 73.25 110.948 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 129.75 18.17 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.638 2.226 . . . . 74.129999999999995 112.396 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -84.08 107.01 16.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 74.409999999999997 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -82.1 121.83 27.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 74.140000000000001 110.862 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.87 130.55 34.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 64.140000000000001 110.875 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.27 19.32 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 74.049999999999997 110.875 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -118.59 -47.45 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 65.219999999999999 110.874 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -106.18 -16.76 14.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 72.400000000000006 110.894 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.6 t30 67.46 60.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.209999999999994 110.865 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -146.67 154.55 41.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.049999999999997 110.854 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -97.88 141.84 30.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 65.120000000000005 110.913 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -150.9 136.7 18.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.319999999999993 110.886 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 p -49.99 159.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 74.230000000000004 110.909 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 p -53.53 -35.36 60.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 71.129999999999995 110.865 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -27.91 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 74.25 110.906 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -118.85 21.47 12.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 71.129999999999995 110.904 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -58.19 -39.12 78.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 73.319999999999993 110.842 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.3 mt -51.75 164.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 72.409999999999997 110.934 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -61.99 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 74.340000000000003 110.916 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -56.94 -29.1 62.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 75.209999999999994 110.895 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.9 -53.43 25.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 72.319999999999993 110.838 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -95.2 21.21 8.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.888 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 51.34 54.87 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.409999999999997 110.865 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.7 t -52.21 123.7 11.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 71.040000000000006 110.911 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -52.99 -35.55 59.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 74.420000000000002 110.847 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 39.5 t90 -59.44 -42.68 92.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 72.310000000000002 110.916 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mt -63.05 -41.18 99.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 74.25 110.971 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.97 -36.0 69.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 75.219999999999999 110.888 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.14 -36.17 72.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 72.099999999999994 110.85 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -110.8 61.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 74.340000000000003 110.832 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -86.58 96.48 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 75.239999999999995 110.899 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -110.22 55.58 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 63.310000000000002 110.886 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 75.129999999999995 111.149 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.0 ptp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.823 0.344 . . . . 75.25 110.851 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.13 115.18 9.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 75.430000000000007 110.943 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -139.76 75.66 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 62.530000000000001 110.871 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.9 m -82.41 56.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 75.530000000000001 111.105 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -125.84 141.88 13.26 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 64.349999999999994 112.515 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -108.25 129.01 55.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.818 0.342 . . . . 75.230000000000004 110.89 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -81.09 133.32 35.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 72.420000000000002 110.88 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.4 t -50.76 136.01 22.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 73.109999999999999 110.858 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.55 22.39 3.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 75.239999999999995 111.106 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -131.74 -39.08 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 75.109999999999999 110.918 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.6 p -129.37 8.82 5.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 75.319999999999993 110.885 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? 46.87 73.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.530000000000001 110.84 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -120.07 115.65 24.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 75.239999999999995 110.928 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.1 tp -70.43 104.72 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.450000000000003 110.923 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.42 164.15 16.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.340000000000003 110.827 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -92.16 -37.46 12.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.310000000000002 110.849 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.21 82.94 2.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 73.329999999999998 110.928 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 129.64 17.98 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 73.310000000000002 112.344 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -78.25 105.87 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 73.200000000000003 110.835 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -82.48 117.85 22.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.340000000000003 110.864 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 t -85.64 129.03 34.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 70.530000000000001 110.916 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.36 20.5 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 64.420000000000002 110.86 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -118.46 -47.23 2.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 63.119999999999997 110.889 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.4 p -107.63 -14.27 14.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 74.209999999999994 110.859 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 67.23 59.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 71.540000000000006 110.87 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -147.96 148.57 30.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 74.120000000000005 110.93 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -97.94 144.26 27.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 74.349999999999994 110.851 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -151.18 144.32 24.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.140000000000001 110.869 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.1 p -50.3 155.69 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 75.349999999999994 110.836 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.37 -43.43 61.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 72.519999999999996 110.837 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -53.55 -29.91 39.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 74.329999999999998 110.88 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -112.15 20.97 16.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 71.219999999999999 110.83 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -55.39 -34.75 64.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 75.140000000000001 110.871 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.4 mt -55.73 168.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 73.109999999999999 110.921 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -62.3 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.239999999999995 110.871 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -54.85 -29.48 55.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 74.230000000000004 110.862 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -49.86 -53.31 26.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 73.409999999999997 110.849 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -95.94 20.41 10.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 110.834 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 49.01 57.21 6.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.209999999999994 110.811 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.1 t -51.62 130.74 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 75.040000000000006 110.885 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.9 -45.88 67.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 72.219999999999999 110.852 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -53.03 -38.33 62.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 110.92 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.5 mt -64.95 -36.89 85.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 75.340000000000003 110.944 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.6 mt -72.3 -55.06 7.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 61.539999999999999 110.924 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.5 -36.02 79.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 110.912 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -123.02 83.6 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 73.310000000000002 110.849 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -75.59 88.28 2.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 74.200000000000003 110.882 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -58.32 129.5 42.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 74.530000000000001 110.874 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 72.120000000000005 111.135 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.5 mtp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.811 0.339 . . . . 73.25 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.8 119.09 7.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 72.209999999999994 110.9 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.17 82.2 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 75.310000000000002 110.854 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.2 m -82.86 55.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 73.329999999999998 111.151 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.39 139.9 10.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 53.32 112.522 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.94 131.25 43.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 75.310000000000002 110.863 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -85.65 137.24 32.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 74.109999999999999 110.879 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -51.19 151.15 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 52.240000000000002 110.854 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.9 14.73 27.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 75.340000000000003 111.1 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -130.71 -48.19 1.05 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 74.349999999999994 110.912 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -110.7 -7.53 14.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 73.409999999999997 110.879 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 54.9 70.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 74.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -119.56 113.53 20.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.150000000000006 110.889 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.92 104.85 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 75.349999999999994 110.94 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.72 157.7 22.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 65.019999999999996 110.875 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -90.2 -35.29 15.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 70.030000000000001 110.919 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.87 82.61 6.85 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.65 0.738 . . . . 71.349999999999994 110.893 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 129.66 18.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.71 2.273 . . . . 73.129999999999995 112.358 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -85.37 105.93 16.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 74.030000000000001 110.89 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -78.29 122.38 25.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 72.450000000000003 110.859 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.5 t -85.76 130.33 34.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 73.530000000000001 110.93 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.03 21.76 5.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 61.32 110.866 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -118.34 -47.25 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 75.299999999999997 110.886 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 p -109.36 -14.85 14.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 73.140000000000001 110.887 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.8 t30 67.55 60.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 73.230000000000004 110.885 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -145.36 157.42 44.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 72.329999999999998 110.929 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -97.87 142.63 29.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 71.019999999999996 110.89 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -151.85 137.89 18.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 75.230000000000004 110.898 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.6 p -50.46 159.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 73.319999999999993 110.908 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.5 p -51.88 -46.34 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 73.420000000000002 110.834 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -55.32 -26.37 40.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 53.409999999999997 110.914 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -115.76 21.23 14.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 110.866 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -61.38 -35.57 77.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 74.510000000000005 110.881 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.8 mt -54.71 166.78 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 73.430000000000007 110.91 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -62.43 1.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 73.010000000000005 110.906 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -57.51 -27.92 62.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 73.409999999999997 110.895 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -49.82 -53.51 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 75.340000000000003 110.854 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -95.18 20.05 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 75.430000000000007 110.892 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 47.75 59.07 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.120000000000005 110.883 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.0 t -54.6 129.14 35.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 62.439999999999998 110.873 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -35.51 60.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 71.239999999999995 110.843 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 34.5 t90 -61.12 -39.21 89.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 74.040000000000006 110.944 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.5 mt -64.66 -36.22 83.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 63.140000000000001 110.882 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.96 -54.98 8.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 65.319999999999993 110.959 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -60.32 -36.18 77.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 74.540000000000006 110.881 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -120.6 82.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 73.5 110.881 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.55 91.05 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 71.409999999999997 110.809 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -72.72 -178.81 2.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 74.109999999999999 110.827 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.6 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 75.310000000000002 111.108 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.491 -0.244 . . . . 33.11 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.77 139.55 39.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.802 0.334 . . . . 72.24 110.873 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.435 ' NE2' HD12 ' A' ' 24' ' ' LEU . 11.2 m80 -91.21 138.41 31.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 64.43 110.851 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.1 t -51.85 147.88 6.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 63.53 110.843 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.801 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -98.82 15.97 23.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.23 111.096 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -131.04 -40.2 1.17 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.24 -0.436 . . . . 74.14 110.943 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.0 p -116.62 -14.3 10.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 70.44 110.867 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.5 mmm-85 62.52 66.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.864 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -119.11 117.01 27.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 63.04 110.923 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.435 HD12 ' NE2' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -63.85 107.84 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 45.2 110.893 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.1 157.0 27.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.875 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -86.28 -39.0 16.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 63.43 110.869 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.37 83.12 3.03 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.564 0.697 . . . . 73.42 110.896 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.79 18.17 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 71.44 112.372 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -84.53 107.82 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 73.52 110.834 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -82.98 121.86 27.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 74.33 110.881 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.74 129.86 34.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 64.3 110.868 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.19 19.85 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 75.33 110.808 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.51 -47.41 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 74.13 110.905 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.7 p -106.42 -16.03 14.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 32.53 110.894 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 67.54 60.28 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 75.14 110.851 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -146.78 153.74 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 65.15 110.845 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.89 141.82 30.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 64.3 110.883 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.801 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 70.8 m-85 -150.56 137.95 19.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 70.32 110.856 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.8 p -50.16 157.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 64.43 110.889 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.09 -36.08 60.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 31.41 110.872 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.73 -28.78 68.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 73.24 110.923 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -117.57 21.35 13.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 72.53 110.851 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.3 ptt-85 -55.65 -37.54 68.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.834 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.6 mt -53.33 167.64 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 73.34 110.93 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.9 -61.31 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.935 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -54.79 -29.53 54.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 72.14 110.865 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -49.86 -53.37 26.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 72.23 110.891 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -96.44 20.88 9.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 75.4 110.866 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 50.43 55.63 9.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 62.31 110.879 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.12 110.852 -179.902 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.487 -0.245 . . . . 35.12 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.0 136.36 43.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 53.32 110.902 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -85.77 135.56 33.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 74.54 110.825 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.9 t -51.63 142.52 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.856 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.789 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -94.44 18.54 11.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.52 111.083 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -131.35 -41.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.878 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.5 p -116.04 -17.9 10.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 61.41 110.869 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 66.65 63.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 72.22 110.897 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -119.18 114.94 23.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 71.3 110.931 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.98 110.09 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 74.42 110.919 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.94 157.41 27.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.841 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -85.98 -39.22 17.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.899 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.86 81.98 2.83 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.636 0.731 . . . . 72.31 110.902 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 129.69 18.02 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.283 . . . . 73.32 112.314 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -83.18 113.4 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 72.5 110.931 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -87.87 120.71 29.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 74.03 110.898 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.74 129.89 34.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 43.04 110.846 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.09 19.58 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 70.31 110.862 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.47 -47.51 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 74.55 110.883 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.9 p -106.24 -16.32 14.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 75.11 110.884 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 t30 67.25 60.26 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 73.22 110.904 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -146.85 154.02 40.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.24 110.882 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -97.76 141.6 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 62.21 110.883 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.789 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 69.1 m-85 -150.48 136.47 18.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 74.51 110.865 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 p -49.9 159.62 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 65.24 110.861 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -53.57 -35.2 60.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 50.13 110.851 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -27.86 69.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 73.13 110.9 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -118.98 21.4 12.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 72.21 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -58.31 -39.1 78.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 60.23 110.841 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.2 mt -51.83 163.79 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 73.03 110.928 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.63 -62.17 1.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 75.04 110.866 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -56.63 -29.44 62.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 74.31 110.858 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.97 -53.44 26.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 71.32 110.861 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -95.33 20.97 8.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 64.12 110.899 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 50.63 56.11 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 71.33 110.874 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 74.14 110.881 -179.921 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.473 -0.251 . . . . 61.34 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.84 139.43 38.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.329 . . . . 71.12 110.915 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -91.62 137.65 32.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 71.52 110.871 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.0 t -51.49 148.18 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 65.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.799 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -98.85 15.82 24.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 70.22 111.065 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -130.92 -40.02 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 74.4 110.943 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.8 p -116.16 -15.03 11.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.517 . . . . 71.53 110.88 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.0 mmm-85 62.93 66.1 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.836 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -119.14 117.29 28.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.934 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.61 107.6 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 72.44 110.909 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.04 158.79 23.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 71.43 110.876 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -87.62 -39.6 14.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mt -110.32 83.1 2.98 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.605 0.717 . . . . 75.31 110.895 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 129.74 18.08 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.707 2.271 . . . . 43.11 112.333 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -84.82 106.38 16.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.34 110.841 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -81.29 122.6 27.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.23 110.84 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.74 129.89 34.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.898 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.33 19.99 7.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 54.22 110.861 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.57 -47.37 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 63.33 110.903 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.8 p -106.07 -16.63 14.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 42.03 110.919 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 67.68 60.34 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 73.1 110.911 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -146.41 155.71 42.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 72.2 110.892 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -97.83 141.67 30.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.894 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.799 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 74.2 m-85 -151.25 136.74 17.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 65.22 110.867 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.2 p -50.21 157.49 0.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 72.01 110.866 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.2 m -53.23 -36.37 60.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.842 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -28.18 68.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.906 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -118.61 21.28 12.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 72.02 110.871 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.0 ptt85 -55.28 -38.75 69.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 73.51 110.898 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -51.83 167.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 71.45 110.887 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.06 -61.53 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.923 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -54.72 -29.5 53.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 73.32 110.881 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -49.83 -53.37 25.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 74.35 110.936 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -96.67 20.93 10.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 64.13 110.864 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 50.59 55.6 9.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 71.43 110.843 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 70.14 110.875 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.499 -0.241 . . . . 72.42 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.7 132.34 50.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 53.22 110.938 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.533 ' NE2' HD13 ' A' ' 24' ' ' LEU . 11.4 m80 -83.85 137.97 33.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 71.43 110.876 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.8 t -51.58 148.72 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 61.52 110.843 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.803 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -99.2 15.61 25.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 72.12 111.126 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -131.0 -40.18 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 75.14 110.919 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.5 p -116.21 -14.22 11.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 63.23 110.878 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 62.4 66.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.834 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -119.2 118.42 31.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.889 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.533 HD13 ' NE2' ' A' ' 17' ' ' HIS . 56.3 tp -65.26 107.58 1.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 73.11 110.953 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -117.3 157.76 25.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 64.31 110.903 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -87.54 -38.08 16.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 71.55 110.924 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.05 82.05 3.0 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.604 0.716 . . . . 62.32 110.909 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 129.72 18.12 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.696 2.264 . . . . 70.32 112.343 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -84.31 110.18 18.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 74.11 110.869 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -84.83 121.26 27.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 73.34 110.882 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.77 130.03 34.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 71.23 110.89 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.36 19.64 8.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.879 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -118.55 -47.38 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 53.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -106.12 -16.4 14.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 64.15 110.919 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 t30 67.24 60.24 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.873 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -146.93 153.95 40.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 55.03 110.899 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -97.9 141.87 30.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 72.53 110.865 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.803 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 72.0 m-85 -150.77 137.2 18.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.881 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.9 p -49.97 159.2 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 63.33 110.891 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.43 -35.58 60.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 75.13 110.84 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.2 -28.08 69.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 72.31 110.877 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -118.6 21.35 12.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.31 110.847 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -57.58 -39.22 76.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.894 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.7 mt -51.6 164.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 54.35 110.912 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -62.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 72.42 110.895 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -56.62 -29.48 62.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 70.42 110.901 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.93 -53.39 26.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 71.53 110.856 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -95.43 21.06 8.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.24 110.837 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 50.89 55.88 8.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 73.25 110.835 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.879 -179.951 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.493 -0.243 . . . . 74.34 112.493 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.89 139.67 40.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.792 0.329 . . . . 72.01 110.915 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -90.45 138.31 31.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 73.53 110.831 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.5 t -51.74 146.85 7.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 72.02 110.867 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.793 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -97.37 16.56 19.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 72.44 111.117 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -131.16 -43.51 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 64.34 110.927 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.8 p -113.03 -15.09 12.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 71.05 110.897 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 63.43 66.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.858 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -119.11 116.81 27.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 74.43 110.943 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.13 107.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 64.33 110.958 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -116.89 155.5 28.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 74.21 110.863 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -85.06 -39.37 18.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.884 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 mt -110.51 83.25 3.21 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.597 0.713 . . . . 73.4 110.92 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 129.71 18.13 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.721 2.281 . . . . 64.21 112.364 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -87.12 109.53 19.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 70.12 110.86 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -84.91 123.34 30.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 72.22 110.872 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.4 t -85.85 129.73 34.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 63.13 110.855 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.36 20.78 6.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 72.4 110.835 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -118.45 -47.35 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 71.14 110.904 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 p -107.23 -14.0 15.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 61.52 110.86 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 67.01 60.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 74.53 110.9 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -147.7 150.51 34.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 74.1 110.866 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -97.95 143.16 28.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 75.11 110.881 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.793 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 71.3 m-85 -150.83 141.73 22.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 74.52 110.876 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.6 p -50.03 157.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 74.01 110.901 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.7 p -51.81 -46.22 64.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 44.5 110.847 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -53.98 -27.31 30.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.896 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -115.63 21.37 14.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 72.55 110.868 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -59.47 -35.05 73.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 73.42 110.86 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.9 mt -54.51 169.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.9 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.08 -62.21 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 72.33 110.888 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -54.97 -29.64 57.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 75.54 110.838 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -49.88 -53.37 26.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 62.15 110.844 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -96.39 20.41 10.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 72.02 110.899 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 73.8 m80 49.03 56.61 7.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.894 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 64.23 110.896 -179.909 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.509 -0.236 . . . . 41.44 112.509 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.96 136.61 41.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 63.21 110.907 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -89.28 136.14 33.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 72.12 110.825 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.3 t -51.45 144.17 10.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 72.51 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.792 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -95.38 18.66 12.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.23 111.075 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -131.27 -44.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 73.55 110.911 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 p -114.44 -16.11 11.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 65.55 110.896 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 66.05 68.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 75.45 110.845 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -119.74 113.58 20.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 75.5 110.869 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.21 104.94 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 72.43 110.945 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.22 162.37 17.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 54.13 110.9 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -91.67 -38.05 12.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 50.13 110.919 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.65 82.14 2.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 71.15 110.906 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 129.8 18.21 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.672 2.248 . . . . 72.11 112.337 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -84.34 105.93 15.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 54.41 110.846 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -82.23 122.26 27.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.882 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -85.78 129.75 34.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 73.52 110.88 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.03 20.34 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 45.43 110.864 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.55 -47.3 2.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.866 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.3 p -106.95 -14.87 14.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 40.13 110.86 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 67.28 60.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.15 110.882 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -147.54 150.4 34.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 75.43 110.85 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.89 143.78 28.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.876 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.792 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 77.4 m-85 -151.5 140.55 21.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 44.15 110.899 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.3 p -50.04 157.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 74.21 110.907 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.52 -35.83 61.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 64.14 110.88 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.46 -27.48 68.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 51.13 110.856 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -118.14 21.31 12.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.816 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -57.27 -36.91 71.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 73.43 110.873 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.0 mt -52.45 168.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 64.43 110.934 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -62.31 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 75.43 110.873 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -55.0 -29.54 57.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 72.22 110.916 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -49.9 -53.28 27.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 54.3 110.905 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -96.29 20.57 10.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 61.15 110.798 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 49.11 56.8 7.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.43 110.897 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.89 -179.911 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.47 -0.252 . . . . 73.03 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.53 139.02 39.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.789 0.328 . . . . 70.31 110.898 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.444 ' NE2' HD12 ' A' ' 24' ' ' LEU . 11.7 m80 -91.08 138.68 31.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 74.11 110.886 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.5 t -51.44 148.65 4.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 74.45 110.875 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.799 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -99.56 15.66 25.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 54.21 111.122 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -130.95 -40.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 72.1 110.926 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.7 p -116.79 -13.8 10.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.067 -0.515 . . . . 73.03 110.834 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.8 mmm-85 62.25 66.77 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 64.22 110.849 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -119.09 118.21 30.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 61.3 110.913 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.444 HD12 ' NE2' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -64.77 108.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 74.43 110.938 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -118.73 156.2 29.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 54.44 110.904 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -85.97 -39.07 17.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 73.41 110.862 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mt -110.18 83.16 2.92 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.605 0.717 . . . . 65.12 110.941 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 129.77 18.19 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.716 2.277 . . . . 75.33 112.328 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -83.88 108.04 16.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 72.14 110.86 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -83.1 120.93 26.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 54.3 110.845 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.77 129.59 34.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 61.53 110.858 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.96 19.94 7.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 54.51 110.876 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -118.49 -47.36 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 63.43 110.896 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.8 p -106.82 -16.17 14.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 43.01 110.87 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t30 67.48 60.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 64.12 110.846 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -146.82 153.4 40.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 63.42 110.88 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -97.85 141.7 30.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.875 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.799 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 69.2 m-85 -150.42 137.34 19.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 71.35 110.884 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 p -49.89 159.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 61.23 110.9 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -53.18 -36.14 60.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 52.12 110.855 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.35 -28.82 69.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 74.01 110.893 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -117.15 21.27 13.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 75.5 110.844 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -57.47 -38.59 74.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 72.22 110.899 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.2 mt -52.42 165.62 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 64.35 110.915 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -62.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 72.1 110.947 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -56.92 -29.1 62.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 72.04 110.902 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.93 -53.44 26.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.869 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -95.08 21.03 8.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 63.32 110.848 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 50.41 55.86 8.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 72.22 110.871 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 64.51 110.885 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.525 -0.23 . . . . 74.44 112.525 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -103.19 134.82 45.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 73.01 110.909 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -89.68 138.68 31.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 74.41 110.861 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 t -51.26 149.0 4.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 74.05 110.862 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.795 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -98.94 16.34 22.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 62.4 111.084 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -130.93 -45.33 1.04 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 63.02 110.972 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.4 p -113.02 -12.53 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 64.12 110.897 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.52 70.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 72.23 110.886 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -119.65 113.68 21.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.44 110.923 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.94 104.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 73.51 110.924 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.04 162.83 16.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 55.15 110.872 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -92.73 -39.35 11.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 72.45 110.896 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.91 83.78 3.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.74 . . . . 72.1 110.866 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 129.92 18.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.281 . . . . 73.34 112.328 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -86.34 106.91 17.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 72.45 110.893 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -79.29 125.57 29.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 75.32 110.9 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.1 t -85.93 132.27 34.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 62.33 110.858 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.03 17.67 9.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 75.02 110.863 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.9 m-30 -116.61 -47.2 2.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 65.45 110.927 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.7 p -107.93 -16.96 14.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.926 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 t30 67.7 60.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 73.22 110.91 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -144.07 160.13 41.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 73.51 110.857 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -97.82 142.0 30.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 64.3 110.872 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.795 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 83.1 m-85 -151.77 136.93 17.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.863 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.5 p -50.44 159.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 45.12 110.864 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.3 p -53.66 -35.75 61.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.876 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.37 -27.14 68.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 71.52 110.916 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -119.21 21.31 12.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 71.34 110.861 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.43 -38.89 78.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 75.55 110.839 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.5 mt -54.24 167.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 41.4 110.933 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -61.95 1.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 75.24 110.932 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.63 -27.08 37.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 73.53 110.917 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -49.87 -53.24 26.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 74.3 110.888 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -97.68 19.37 13.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.865 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 46.49 61.87 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 65.12 110.825 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 31.41 110.872 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.505 -0.238 . . . . 63.44 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -102.89 139.69 38.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 75.53 110.875 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.518 ' NE2' HD13 ' A' ' 24' ' ' LEU . 11.3 m80 -91.27 138.06 31.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 62.42 110.844 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.9 t -51.63 148.63 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 62.13 110.875 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.797 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -99.18 15.75 25.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 65.51 111.124 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -131.05 -40.13 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.957 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.7 p -116.25 -14.51 11.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 33.11 110.838 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 62.58 66.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 73.13 110.886 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -119.16 118.24 30.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 61.42 110.917 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.518 HD13 ' NE2' ' A' ' 17' ' ' HIS . 59.0 tp -65.05 107.68 1.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.43 110.942 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.34 156.34 28.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 64.42 110.864 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -85.57 -39.48 17.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 75.5 110.863 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mt -110.09 83.41 3.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.567 0.698 . . . . 71.25 110.921 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 129.99 18.51 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 73.03 112.349 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -87.85 112.17 22.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 74.24 110.859 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -84.05 125.24 31.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 73.1 110.874 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.5 t -85.96 131.67 34.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 62.01 110.829 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.03 18.27 8.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.87 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.9 m-30 -116.53 -47.25 2.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 64.02 110.862 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.4 p -108.07 -17.05 14.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 75.01 110.878 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 t30 67.91 60.38 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 52.04 110.88 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -144.0 160.86 40.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 71.33 110.841 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -97.87 141.64 30.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 62.22 110.842 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.797 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 75.4 m-85 -151.37 135.88 16.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 72.14 110.888 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.7 p -50.41 158.82 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 74.01 110.91 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -34.93 60.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 70.41 110.857 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.99 -27.06 69.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 70.13 110.891 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -120.05 21.48 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 64.14 110.872 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -58.15 -39.8 79.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 71.42 110.868 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -52.75 168.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 41.4 110.896 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -62.21 1.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.94 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -27.17 39.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 72.13 110.886 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -49.88 -53.28 26.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.477 . . . . 73.23 110.811 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -97.6 19.35 13.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 70.44 110.838 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 46.2 61.96 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 70.31 110.875 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 62.41 110.912 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.497 -0.241 . . . . 73.21 112.497 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 132.27 53.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.815 0.34 . . . . 72.34 110.875 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -82.82 138.3 34.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 74.32 110.873 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 t -51.68 147.77 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.854 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.797 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -98.77 16.14 23.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 21.33 111.094 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -130.93 -40.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 63.1 110.889 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.0 p -116.06 -15.42 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 72.1 110.856 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.59 65.91 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 74.4 110.87 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -119.21 117.28 28.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.11 110.901 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 tt -64.01 108.51 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 72.42 110.903 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.17 158.01 25.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 73.14 110.855 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -87.42 -38.17 16.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 62.51 110.871 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.94 81.94 2.86 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.615 0.722 . . . . 61.52 110.911 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.74 18.17 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.743 2.295 . . . . 71.13 112.326 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -83.97 111.35 19.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 73.33 110.865 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -86.04 121.06 28.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 73.31 110.872 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.78 130.02 34.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.908 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.17 19.42 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 75.43 110.879 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -118.43 -47.44 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 61.21 110.926 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -106.08 -16.64 14.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 63.2 110.899 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 67.36 60.21 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 74.53 110.864 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -146.91 153.84 40.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.873 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -97.84 141.61 30.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.863 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.797 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 69.4 m-85 -150.36 137.05 19.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 63.34 110.906 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 p -50.0 159.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 71.31 110.9 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.0 t -53.59 -35.09 60.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.23 110.864 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -62.81 -27.85 69.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 65.55 110.917 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -118.99 21.41 12.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.837 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -57.86 -39.3 77.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 72.1 110.883 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.9 mt -51.63 164.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.45 -62.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 52.44 110.87 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -56.48 -29.55 61.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 72.53 110.909 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.96 -53.34 27.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 75.3 110.876 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -95.43 21.15 8.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 71.12 110.884 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 50.95 55.57 9.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.843 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.6 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.925 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.464 -0.255 . . . . 55.51 112.464 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.46 136.99 43.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 63.1 110.867 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -90.3 137.97 31.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 72.22 110.876 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.9 t -51.58 146.34 7.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 60.15 110.917 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.783 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -96.47 17.43 16.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 63.03 111.1 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -131.15 -46.71 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.43 110.891 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.0 p -111.22 -14.83 13.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 73.3 110.868 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 63.98 69.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 72.34 110.878 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -119.69 113.56 20.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 65.05 110.95 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.11 104.96 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 72.41 110.933 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.97 163.39 15.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 62.51 110.85 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -92.27 -39.97 11.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 75.15 110.873 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -109.81 83.64 2.92 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.585 0.707 . . . . 73.33 110.9 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 129.82 18.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 72.14 112.356 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -84.85 105.92 15.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 54.33 110.833 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -80.95 123.8 28.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 73.02 110.86 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.94 130.88 34.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 52.21 110.877 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.83 19.12 7.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 61.34 110.858 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -118.57 -47.29 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.894 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.7 p -106.22 -17.45 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 71.52 110.868 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 67.62 60.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 70.13 110.9 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -145.51 156.12 43.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 73.5 110.889 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.96 141.57 30.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 65.33 110.829 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.783 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 77.9 m-85 -151.73 137.23 17.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 73.22 110.879 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.6 p -49.89 158.1 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 52.33 110.897 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.7 p -53.5 -35.46 60.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 72.21 110.881 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -27.35 68.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 73.2 110.871 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -118.46 21.22 12.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 71.15 110.891 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.5 ptt-85 -56.71 -35.99 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 75.32 110.907 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.2 mt -54.86 168.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 73.23 110.917 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.08 -61.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 72.22 110.898 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -29.37 52.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.896 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -49.93 -53.38 26.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 74.45 110.862 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -96.61 21.1 9.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 70.33 110.835 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 51.05 54.45 11.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 61.15 110.877 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 63.21 110.901 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.518 -0.233 . . . . 43.14 112.518 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 135.14 42.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 74.12 110.912 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -86.83 136.67 32.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 72.12 110.894 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 t -51.63 150.14 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.01 110.858 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.804 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -99.42 14.46 29.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 71.15 111.051 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -130.82 -40.76 1.18 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 73.14 110.9 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.2 p -114.94 -13.4 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.904 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.31 66.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 72.51 110.896 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -119.38 118.35 30.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 55.42 110.896 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 tt -66.19 105.01 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 72.03 110.916 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -113.35 159.83 19.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 72.21 110.866 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -89.4 -35.45 16.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.35 110.857 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.1 82.02 6.75 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.606 0.717 . . . . 74.21 110.9 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 129.76 18.11 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.263 . . . . 71.11 112.306 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -86.7 105.98 17.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 71.04 110.888 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -81.5 122.12 27.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 64.21 110.847 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 t -85.73 128.41 34.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 51.23 110.919 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.26 21.76 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.844 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -118.44 -47.34 2.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 71.45 110.91 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.1 p -106.23 -15.14 14.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 62.21 110.898 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t30 67.36 60.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 54.3 110.869 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -147.08 153.95 40.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.923 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -97.9 141.74 30.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 74.24 110.893 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.804 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 74.3 m-85 -151.5 137.62 18.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 73.54 110.903 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.5 p -50.28 156.71 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.886 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.2 p -53.28 -35.68 60.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 63.44 110.878 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.8 -28.04 68.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 62.32 110.883 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -117.64 21.26 13.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.2 110.832 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 -56.34 -36.65 69.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 72.35 110.881 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.4 mt -51.99 168.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.97 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -62.18 1.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 70.25 110.897 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -30.2 57.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 71.22 110.91 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -49.82 -53.3 26.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 74.34 110.872 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -97.19 20.3 11.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 74.25 110.869 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 49.06 56.45 7.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 72.22 110.909 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.3 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 61.11 110.86 -179.903 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.476 -0.25 . . . . 62.53 112.476 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.12 136.06 44.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 64.44 110.887 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.554 ' NE2' HD13 ' A' ' 24' ' ' LEU . 11.8 m80 -87.92 138.84 31.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 73.42 110.831 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.7 t -51.66 148.87 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 61.14 110.855 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.79 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -99.59 15.68 25.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 63.15 111.105 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -131.0 -40.09 1.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 75.21 110.915 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.1 p -116.46 -14.09 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 73.04 110.877 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 62.4 66.61 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 71.14 110.846 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -119.08 118.15 30.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 62.42 110.922 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.554 HD13 ' NE2' ' A' ' 17' ' ' HIS . 52.5 tp -64.76 108.39 1.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 62.31 110.897 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -118.28 156.93 27.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 71.21 110.83 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -86.34 -39.92 15.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.886 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mt -110.06 83.37 2.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.57 0.7 . . . . 73.25 110.948 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 129.75 18.17 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.638 2.226 . . . . 73.4 112.396 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -84.08 107.01 16.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -82.1 121.83 27.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 70.1 110.862 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.87 130.55 34.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 45.34 110.875 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.27 19.32 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 74.05 110.875 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -118.59 -47.45 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 63.14 110.874 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -106.18 -16.76 14.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 72.4 110.894 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.6 t30 67.46 60.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.865 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -146.67 154.55 41.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 54.31 110.854 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -97.88 141.84 30.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 62.24 110.913 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.79 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 72.4 m-85 -150.9 136.7 18.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.886 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 p -49.99 159.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 73.22 110.909 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 p -53.53 -35.36 60.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 71.13 110.865 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -27.91 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 63.52 110.906 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -118.85 21.47 12.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 63.12 110.904 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -58.19 -39.12 78.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 73.12 110.842 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.3 mt -51.75 164.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.934 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -61.99 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 74.34 110.916 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -56.94 -29.1 62.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 75.21 110.895 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.9 -53.43 25.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 71.21 110.838 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -95.2 21.21 8.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 63.14 110.888 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 51.34 54.87 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.865 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.7 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 63.33 110.911 -179.937 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.515 -0.234 . . . . 64.35 112.515 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -108.25 129.01 55.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.818 0.342 . . . . 75.23 110.89 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.635 ' NE2' HD13 ' A' ' 24' ' ' LEU . 10.5 m80 -81.09 133.32 35.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 63.22 110.88 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.4 t -50.76 136.01 22.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 61.25 110.858 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.71 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -90.55 22.39 3.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 75.24 111.106 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -131.74 -39.08 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 75.11 110.918 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.6 p -129.37 8.82 5.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 75.32 110.885 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? 46.87 73.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.53 110.84 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -120.07 115.65 24.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 64.43 110.928 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.635 HD13 ' NE2' ' A' ' 17' ' ' HIS . 60.1 tp -70.43 104.72 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 71.44 110.923 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.42 164.15 16.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.827 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -92.16 -37.46 12.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.849 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.21 82.94 2.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 73.33 110.928 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 129.64 17.98 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 53.24 112.344 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -78.25 105.87 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 65.41 110.835 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -82.48 117.85 22.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.864 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 t -85.64 129.03 34.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 70.53 110.916 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.36 20.5 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 50.31 110.86 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -118.46 -47.23 2.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 63.12 110.889 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.4 p -107.63 -14.27 14.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 71.42 110.859 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 67.23 59.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 71.54 110.87 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -147.96 148.57 30.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 73.14 110.93 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -97.94 144.26 27.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.851 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.71 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 72.4 m-85 -151.18 144.32 24.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.2 110.869 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.1 p -50.3 155.69 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 62.12 110.836 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.37 -43.43 61.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 64.14 110.837 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -53.55 -29.91 39.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.88 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -112.15 20.97 16.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 71.22 110.83 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -55.39 -34.75 64.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 72.53 110.871 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.4 mt -55.73 168.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 52.54 110.921 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -62.3 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 71.34 110.871 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -54.85 -29.48 55.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.862 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -49.86 -53.31 26.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 73.41 110.849 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -95.94 20.41 10.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 72.43 110.834 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 49.01 57.21 6.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 72.32 110.811 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 75.04 110.885 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.522 -0.231 . . . . 53.32 112.522 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.94 131.25 43.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 72.43 110.863 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -85.65 137.24 32.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 73.21 110.879 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -51.19 151.15 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 52.24 110.854 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.803 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -98.9 14.73 27.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 75.34 111.1 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -130.71 -48.19 1.05 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 74.35 110.912 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -110.7 -7.53 14.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 73.41 110.879 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 54.9 70.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 65.12 110.881 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -119.56 113.53 20.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.15 110.889 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.92 104.85 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 75.35 110.94 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.72 157.7 22.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 65.02 110.875 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -90.2 -35.29 15.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 65.35 110.919 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.87 82.61 6.85 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.65 0.738 . . . . 62.24 110.893 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 129.66 18.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.71 2.273 . . . . 73.13 112.358 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -85.37 105.93 16.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 74.03 110.89 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -78.29 122.38 25.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 72.45 110.859 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.5 t -85.76 130.33 34.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 73.53 110.93 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.03 21.76 5.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 61.32 110.866 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -118.34 -47.25 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 75.3 110.886 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 p -109.36 -14.85 14.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 73.14 110.887 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.8 t30 67.55 60.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 70.43 110.885 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -145.36 157.42 44.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 70.34 110.929 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -97.87 142.63 29.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 70.01 110.89 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.803 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 84.8 m-85 -151.85 137.89 18.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 75.23 110.898 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.6 p -50.46 159.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 73.32 110.908 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.5 p -51.88 -46.34 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 71.14 110.834 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -55.32 -26.37 40.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 53.41 110.914 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -115.76 21.23 14.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.866 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -61.38 -35.57 77.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.51 110.881 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.8 mt -54.71 166.78 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 73.12 110.91 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -62.43 1.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 73.01 110.906 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -57.51 -27.92 62.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.895 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -49.82 -53.51 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 64.05 110.854 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -95.18 20.05 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 61.11 110.892 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 47.75 59.07 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 55.24 110.883 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.0 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 62.44 110.873 -179.925 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.1 mtt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.746 0.308 . . . . 54.42 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.54 116.68 8.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 63.12 110.957 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 51.99 59.99 4.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 61.12 110.911 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.3 m -83.05 55.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 42.24 111.116 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.09 152.67 27.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.694 -0.765 . . . . 33.11 112.491 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.77 139.55 39.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.802 0.334 . . . . 72.24 110.873 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.435 ' NE2' HD12 ' A' ' 24' ' ' LEU . 11.2 m80 -91.21 138.41 31.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 64.43 110.851 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.1 t -51.85 147.88 6.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 63.53 110.843 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.801 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -98.82 15.97 23.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.23 111.096 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -131.04 -40.2 1.17 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.24 -0.436 . . . . 74.14 110.943 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.0 p -116.62 -14.3 10.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 70.44 110.867 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.5 mmm-85 62.52 66.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.864 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -119.11 117.01 27.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 63.04 110.923 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.435 HD12 ' NE2' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -63.85 107.84 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 45.2 110.893 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.1 157.0 27.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.875 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -86.28 -39.0 16.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 63.43 110.869 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.37 83.12 3.03 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.564 0.697 . . . . 73.42 110.896 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.79 18.17 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 71.44 112.372 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -84.53 107.82 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 73.52 110.834 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -82.98 121.86 27.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 74.33 110.881 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.74 129.86 34.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 64.3 110.868 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.19 19.85 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 75.33 110.808 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.51 -47.41 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 74.13 110.905 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.7 p -106.42 -16.03 14.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 32.53 110.894 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 67.54 60.28 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 75.14 110.851 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -146.78 153.74 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 65.15 110.845 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.89 141.82 30.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 64.3 110.883 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.801 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 70.8 m-85 -150.56 137.95 19.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 70.32 110.856 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.8 p -50.16 157.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 64.43 110.889 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.09 -36.08 60.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 31.41 110.872 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.73 -28.78 68.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 73.24 110.923 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -117.57 21.35 13.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 72.53 110.851 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.3 ptt-85 -55.65 -37.54 68.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.834 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.6 mt -53.33 167.64 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 73.34 110.93 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.414 ' HB3' HD12 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -74.9 -61.31 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.935 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -54.79 -29.53 54.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 72.14 110.865 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -49.86 -53.37 26.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 72.23 110.891 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -96.44 20.88 9.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 75.4 110.866 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 50.43 55.63 9.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 62.31 110.879 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.2 t -51.84 126.24 17.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.12 110.852 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -53.03 -35.62 59.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 72.31 110.868 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 35.8 t90 -59.94 -41.39 91.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 75.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.414 HD12 ' HB3' ' A' ' 45' ' ' LYS . 3.5 mt -64.56 -41.94 95.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 75.5 110.908 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mt -70.89 -35.91 72.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.948 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -57.95 -36.53 72.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 73.33 110.881 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -126.5 83.3 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 64.42 110.868 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.97 96.99 5.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 71.21 110.883 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.59 146.79 52.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 64.32 110.899 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 53.32 111.144 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.585 ' O ' HD23 ' A' ' 12' ' ' LEU . 3.2 ptt? . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.826 0.346 . . . . 62.42 110.875 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 11' ' ' MET . 10.7 mt -143.04 -166.3 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 62.43 110.933 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 60.23 96.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.88 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.1 m -83.9 55.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 62.23 111.104 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.02 123.23 7.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 35.12 112.487 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.0 136.36 43.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 53.32 110.902 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -85.77 135.56 33.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 74.54 110.825 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.9 t -51.63 142.52 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.856 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.789 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -94.44 18.54 11.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.52 111.083 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -131.35 -41.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.878 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.5 p -116.04 -17.9 10.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 61.41 110.869 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 66.65 63.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 72.22 110.897 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -119.18 114.94 23.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 71.3 110.931 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.98 110.09 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 74.42 110.919 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.94 157.41 27.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.841 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -85.98 -39.22 17.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.899 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.86 81.98 2.83 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.636 0.731 . . . . 72.31 110.902 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 129.69 18.02 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.283 . . . . 73.32 112.314 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -83.18 113.4 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 72.5 110.931 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -87.87 120.71 29.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 74.03 110.898 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.74 129.89 34.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 43.04 110.846 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.09 19.58 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 70.31 110.862 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.47 -47.51 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 74.55 110.883 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.9 p -106.24 -16.32 14.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 75.11 110.884 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 t30 67.25 60.26 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 73.22 110.904 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -146.85 154.02 40.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.24 110.882 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -97.76 141.6 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 62.21 110.883 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.789 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 69.1 m-85 -150.48 136.47 18.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 74.51 110.865 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 p -49.9 159.62 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 65.24 110.861 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -53.57 -35.2 60.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 50.13 110.851 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -27.86 69.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 73.13 110.9 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -118.98 21.4 12.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 72.21 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -58.31 -39.1 78.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 60.23 110.841 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.2 mt -51.83 163.79 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 73.03 110.928 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.63 -62.17 1.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 75.04 110.866 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -56.63 -29.44 62.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 74.31 110.858 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.97 -53.44 26.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 71.32 110.861 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -95.33 20.97 8.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 64.12 110.899 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 50.63 56.11 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 71.33 110.874 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.3 t -51.82 125.14 14.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 74.14 110.881 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -53.07 -35.71 59.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 60.51 110.858 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -60.36 -39.96 89.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 72.5 110.897 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mt -65.37 -36.84 85.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 73.23 110.873 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.54 -54.76 9.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 64.44 110.942 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.91 -36.17 76.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.925 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -121.54 84.04 2.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 65.43 110.906 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -114.93 102.47 10.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 73.52 110.883 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -122.99 135.59 54.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 73.41 110.89 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.8 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 55.35 111.069 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.812 0.339 . . . . 74.3 110.86 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.98 107.47 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 72.41 110.861 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -146.33 65.64 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 64.11 110.891 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 m -82.71 55.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 61.23 111.104 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -128.26 147.15 17.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 61.34 112.473 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.84 139.43 38.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.329 . . . . 71.12 110.915 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -91.62 137.65 32.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 71.52 110.871 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.0 t -51.49 148.18 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 65.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.799 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -98.85 15.82 24.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 70.22 111.065 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -130.92 -40.02 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 74.4 110.943 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.8 p -116.16 -15.03 11.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.517 . . . . 71.53 110.88 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.0 mmm-85 62.93 66.1 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.836 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -119.14 117.29 28.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.934 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.61 107.6 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 72.44 110.909 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.04 158.79 23.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 71.43 110.876 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -87.62 -39.6 14.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mt -110.32 83.1 2.98 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.605 0.717 . . . . 75.31 110.895 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 129.74 18.08 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.707 2.271 . . . . 43.11 112.333 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -84.82 106.38 16.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.34 110.841 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -81.29 122.6 27.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.23 110.84 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.74 129.89 34.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.898 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.33 19.99 7.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 54.22 110.861 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.57 -47.37 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 63.33 110.903 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.8 p -106.07 -16.63 14.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 42.03 110.919 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 67.68 60.34 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 73.1 110.911 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -146.41 155.71 42.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 72.2 110.892 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -97.83 141.67 30.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.894 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.799 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 74.2 m-85 -151.25 136.74 17.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 65.22 110.867 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.2 p -50.21 157.49 0.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 72.01 110.866 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.2 m -53.23 -36.37 60.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.842 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -28.18 68.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.906 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -118.61 21.28 12.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 72.02 110.871 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.0 ptt85 -55.28 -38.75 69.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 73.51 110.898 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -51.83 167.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 71.45 110.887 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HB3' HD12 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -75.06 -61.53 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.923 179.795 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -54.72 -29.5 53.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 73.32 110.881 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -49.83 -53.37 25.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 74.35 110.936 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -96.67 20.93 10.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 64.13 110.864 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 50.59 55.6 9.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 71.43 110.843 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.0 t -51.8 126.74 18.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 70.14 110.875 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -52.93 -35.54 58.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 64.23 110.872 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 36.2 t90 -59.91 -41.53 91.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.863 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.407 HD12 ' HB3' ' A' ' 45' ' ' LYS . 3.5 mt -64.46 -41.56 96.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 65.02 110.908 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.27 -35.85 71.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 40.4 110.942 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.97 -36.31 72.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 54.03 110.885 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -110.28 61.56 0.6 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 75.15 110.816 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.41 80.0 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 61.13 110.905 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 53.25 -172.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 74.23 110.894 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 74.53 111.137 179.927 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.583 ' O ' HD23 ' A' ' 12' ' ' LEU . 27.1 mtt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.829 0.347 . . . . 73.42 110.894 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 11' ' ' MET . 10.2 mt -143.68 -166.41 2.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 71.52 110.979 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.14 40.78 1.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.906 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.8 m -79.39 58.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 73.13 111.134 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.08 148.02 6.51 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 72.42 112.499 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.7 132.34 50.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 53.22 110.938 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.533 ' NE2' HD13 ' A' ' 24' ' ' LEU . 11.4 m80 -83.85 137.97 33.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 71.43 110.876 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.8 t -51.58 148.72 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 61.52 110.843 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.803 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -99.2 15.61 25.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 72.12 111.126 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -131.0 -40.18 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 75.14 110.919 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.5 p -116.21 -14.22 11.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 63.23 110.878 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 62.4 66.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.834 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -119.2 118.42 31.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.889 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.533 HD13 ' NE2' ' A' ' 17' ' ' HIS . 56.3 tp -65.26 107.58 1.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 73.11 110.953 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -117.3 157.76 25.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 64.31 110.903 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -87.54 -38.08 16.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 71.55 110.924 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.05 82.05 3.0 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.604 0.716 . . . . 62.32 110.909 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 129.72 18.12 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.696 2.264 . . . . 70.32 112.343 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -84.31 110.18 18.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 74.11 110.869 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -84.83 121.26 27.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 73.34 110.882 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.77 130.03 34.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 71.23 110.89 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.36 19.64 8.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.879 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -118.55 -47.38 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 53.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -106.12 -16.4 14.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 64.15 110.919 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 t30 67.24 60.24 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.873 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -146.93 153.95 40.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 55.03 110.899 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -97.9 141.87 30.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 72.53 110.865 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.803 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 72.0 m-85 -150.77 137.2 18.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.881 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.9 p -49.97 159.2 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 63.33 110.891 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.43 -35.58 60.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 75.13 110.84 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.2 -28.08 69.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 72.31 110.877 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -118.6 21.35 12.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.31 110.847 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -57.58 -39.22 76.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.894 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.7 mt -51.6 164.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 54.35 110.912 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -62.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 72.42 110.895 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -56.62 -29.48 62.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 70.42 110.901 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.93 -53.39 26.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 71.53 110.856 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -95.43 21.06 8.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.24 110.837 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 50.89 55.88 8.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 73.25 110.835 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.4 t -51.89 124.49 12.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.879 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -52.98 -35.66 59.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.22 110.906 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -59.99 -40.09 87.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.31 110.919 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mt -65.49 -36.94 85.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.921 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.9 mt -71.61 -54.99 8.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 73.5 110.918 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -59.7 -35.98 75.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 75.3 110.922 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -122.38 79.18 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 74.25 110.872 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.62 103.02 12.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 53.33 110.866 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.9 144.57 56.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 63.43 110.884 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 63.23 111.142 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 mtp . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.809 0.338 . . . . 74.14 110.9 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.08 114.22 8.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 60.35 110.855 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -98.26 66.51 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.875 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 m -83.17 55.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 75.45 111.18 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.41 126.12 5.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.695 -0.764 . . . . 74.34 112.493 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.89 139.67 40.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.792 0.329 . . . . 72.01 110.915 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -90.45 138.31 31.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 73.53 110.831 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.5 t -51.74 146.85 7.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 72.02 110.867 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.793 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -97.37 16.56 19.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 72.44 111.117 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -131.16 -43.51 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 64.34 110.927 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.8 p -113.03 -15.09 12.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 71.05 110.897 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 63.43 66.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.858 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -119.11 116.81 27.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 74.43 110.943 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.13 107.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 64.33 110.958 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -116.89 155.5 28.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 74.21 110.863 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -85.06 -39.37 18.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.884 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 mt -110.51 83.25 3.21 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.597 0.713 . . . . 73.4 110.92 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 129.71 18.13 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.721 2.281 . . . . 64.21 112.364 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -87.12 109.53 19.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 70.12 110.86 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -84.91 123.34 30.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 72.22 110.872 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.4 t -85.85 129.73 34.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 63.13 110.855 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.36 20.78 6.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 72.4 110.835 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -118.45 -47.35 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 71.14 110.904 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 p -107.23 -14.0 15.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 61.52 110.86 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 67.01 60.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 74.53 110.9 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -147.7 150.51 34.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 74.1 110.866 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -97.95 143.16 28.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 75.11 110.881 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.793 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 71.3 m-85 -150.83 141.73 22.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 74.52 110.876 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.6 p -50.03 157.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 74.01 110.901 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.7 p -51.81 -46.22 64.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 44.5 110.847 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -53.98 -27.31 30.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.896 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -115.63 21.37 14.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 72.55 110.868 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -59.47 -35.05 73.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 73.42 110.86 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.9 mt -54.51 169.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.9 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.08 -62.21 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 72.33 110.888 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -54.97 -29.64 57.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 75.54 110.838 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -49.88 -53.37 26.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 62.15 110.844 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -96.39 20.41 10.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 72.02 110.899 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 73.8 m80 49.03 56.61 7.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.894 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.8 t -51.96 132.61 32.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 64.23 110.896 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -54.65 -35.78 63.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 53.2 110.871 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 42.3 t90 -57.07 -45.21 83.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 65.34 110.91 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.68 -39.93 86.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.24 110.923 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.6 mt -72.3 -36.06 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 71.24 110.91 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -37.14 74.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 74.5 110.868 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -108.03 74.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 63.42 110.871 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.69 84.28 7.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 61.45 110.875 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -61.79 137.55 58.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 62.13 110.908 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 41.5 111.112 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.3 mtt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.799 0.333 . . . . 75.11 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.73 -165.44 1.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.91 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -109.25 44.2 1.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 61.43 110.865 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.2 m -82.97 55.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 74.05 111.111 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.1 138.82 9.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.795 -0.716 . . . . 41.44 112.509 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.96 136.61 41.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 63.21 110.907 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -89.28 136.14 33.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 72.12 110.825 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.3 t -51.45 144.17 10.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 72.51 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.792 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -95.38 18.66 12.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.23 111.075 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -131.27 -44.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 73.55 110.911 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 p -114.44 -16.11 11.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 65.55 110.896 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 66.05 68.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 75.45 110.845 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -119.74 113.58 20.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 75.5 110.869 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.21 104.94 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 72.43 110.945 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.22 162.37 17.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 54.13 110.9 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -91.67 -38.05 12.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 50.13 110.919 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.65 82.14 2.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 71.15 110.906 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 129.8 18.21 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.672 2.248 . . . . 72.11 112.337 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -84.34 105.93 15.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 54.41 110.846 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -82.23 122.26 27.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.882 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -85.78 129.75 34.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 73.52 110.88 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.03 20.34 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 45.43 110.864 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.55 -47.3 2.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.866 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.3 p -106.95 -14.87 14.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 40.13 110.86 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 67.28 60.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.15 110.882 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -147.54 150.4 34.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 75.43 110.85 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.89 143.78 28.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.876 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.792 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 77.4 m-85 -151.5 140.55 21.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 44.15 110.899 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.3 p -50.04 157.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 74.21 110.907 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.52 -35.83 61.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 64.14 110.88 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.46 -27.48 68.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 51.13 110.856 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -118.14 21.31 12.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.816 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -57.27 -36.91 71.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 73.43 110.873 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.0 mt -52.45 168.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 64.43 110.934 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -62.31 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 75.43 110.873 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -55.0 -29.54 57.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 72.22 110.916 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -49.9 -53.28 27.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 54.3 110.905 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -96.29 20.57 10.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 61.15 110.798 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 49.11 56.8 7.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.43 110.897 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.4 t -52.5 131.03 33.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.89 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -53.27 -35.89 60.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 70.42 110.84 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -56.62 -42.22 78.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 65.54 110.883 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.15 -35.88 82.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.938 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.7 -55.03 8.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.911 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.2 -36.4 77.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 55.35 110.905 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -116.51 82.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 62.1 110.834 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.36 106.07 13.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 44.33 110.868 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -115.71 106.26 13.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 72.44 110.864 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.9 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 64.31 111.109 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.771 0.32 . . . . 63.11 110.849 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.33 -165.49 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 61.13 110.945 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -151.18 96.89 2.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.88 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.5 m -83.36 55.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 60.25 111.123 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -129.65 148.6 18.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 73.03 112.47 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.53 139.02 39.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.789 0.328 . . . . 70.31 110.898 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.444 ' NE2' HD12 ' A' ' 24' ' ' LEU . 11.7 m80 -91.08 138.68 31.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 74.11 110.886 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.5 t -51.44 148.65 4.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 74.45 110.875 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.799 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -99.56 15.66 25.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 54.21 111.122 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -130.95 -40.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 72.1 110.926 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.7 p -116.79 -13.8 10.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.067 -0.515 . . . . 73.03 110.834 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.8 mmm-85 62.25 66.77 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 64.22 110.849 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -119.09 118.21 30.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 61.3 110.913 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.444 HD12 ' NE2' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -64.77 108.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 74.43 110.938 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -118.73 156.2 29.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 54.44 110.904 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -85.97 -39.07 17.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 73.41 110.862 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mt -110.18 83.16 2.92 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.605 0.717 . . . . 65.12 110.941 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 129.77 18.19 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.716 2.277 . . . . 75.33 112.328 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -83.88 108.04 16.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 72.14 110.86 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -83.1 120.93 26.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 54.3 110.845 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.77 129.59 34.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 61.53 110.858 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.96 19.94 7.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 54.51 110.876 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -118.49 -47.36 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 63.43 110.896 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.8 p -106.82 -16.17 14.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 43.01 110.87 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t30 67.48 60.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 64.12 110.846 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -146.82 153.4 40.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 63.42 110.88 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -97.85 141.7 30.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.875 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.799 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 69.2 m-85 -150.42 137.34 19.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 71.35 110.884 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 p -49.89 159.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 61.23 110.9 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -53.18 -36.14 60.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 52.12 110.855 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.35 -28.82 69.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 74.01 110.893 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -117.15 21.27 13.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 75.5 110.844 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -57.47 -38.59 74.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 72.22 110.899 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.2 mt -52.42 165.62 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 64.35 110.915 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -62.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 72.1 110.947 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -56.92 -29.1 62.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 72.04 110.902 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.93 -53.44 26.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.869 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -95.08 21.03 8.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 63.32 110.848 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 50.41 55.86 8.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 72.22 110.871 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.0 t -51.93 125.57 15.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 64.51 110.885 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -53.33 -35.69 60.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 73.03 110.874 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 36.3 t90 -60.46 -39.89 89.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.891 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mt -65.24 -37.34 86.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 62.4 110.902 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.1 mt -71.3 -54.94 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 62.23 110.916 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -59.96 -35.82 75.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.31 110.843 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -131.44 86.01 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 64.33 110.85 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.03 86.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 61.41 110.878 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -58.88 176.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 62.23 110.901 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 64.35 111.136 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.788 0.328 . . . . 74.54 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.06 107.52 11.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 65.21 110.869 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.91 100.58 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 73.13 110.866 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.5 m -83.33 55.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 73.12 111.095 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.97 161.22 21.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 74.44 112.525 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -103.19 134.82 45.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 73.01 110.909 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -89.68 138.68 31.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 74.41 110.861 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 t -51.26 149.0 4.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 74.05 110.862 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.795 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -98.94 16.34 22.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 62.4 111.084 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -130.93 -45.33 1.04 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 63.02 110.972 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.4 p -113.02 -12.53 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 64.12 110.897 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.52 70.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 72.23 110.886 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -119.65 113.68 21.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.44 110.923 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.94 104.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 73.51 110.924 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.04 162.83 16.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 55.15 110.872 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -92.73 -39.35 11.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 72.45 110.896 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.91 83.78 3.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.74 . . . . 72.1 110.866 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 129.92 18.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.281 . . . . 73.34 112.328 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -86.34 106.91 17.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 72.45 110.893 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -79.29 125.57 29.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 75.32 110.9 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.1 t -85.93 132.27 34.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 62.33 110.858 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.03 17.67 9.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 75.02 110.863 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.9 m-30 -116.61 -47.2 2.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 65.45 110.927 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.7 p -107.93 -16.96 14.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.926 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 t30 67.7 60.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 73.22 110.91 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -144.07 160.13 41.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 73.51 110.857 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -97.82 142.0 30.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 64.3 110.872 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.795 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 83.1 m-85 -151.77 136.93 17.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.863 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.5 p -50.44 159.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 45.12 110.864 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.3 p -53.66 -35.75 61.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.876 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.37 -27.14 68.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 71.52 110.916 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -119.21 21.31 12.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 71.34 110.861 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.43 -38.89 78.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 75.55 110.839 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.5 mt -54.24 167.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 41.4 110.933 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -61.95 1.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 75.24 110.932 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.568 ' HG2' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -54.63 -27.08 37.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 73.53 110.917 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -49.87 -53.24 26.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 74.3 110.888 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -97.68 19.37 13.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.865 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 46.49 61.87 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 65.12 110.825 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.8 t -50.83 137.1 21.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 31.41 110.872 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -52.59 -38.84 60.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 74.1 110.916 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 42.5 t90 -56.68 -42.07 78.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 74.45 110.884 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.568 HD13 ' HG2' ' A' ' 46' ' ' GLU . 1.6 mt -63.49 -36.03 82.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.946 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.1 mt -71.05 -54.86 9.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 62.3 110.895 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -61.95 -36.14 80.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 55.43 110.899 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -126.98 88.97 2.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 54.01 110.836 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.41 101.96 11.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 74.2 110.881 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -85.57 161.56 19.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 51.33 110.877 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 54.42 111.076 179.959 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.661 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.8 mtt . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.813 0.34 . . . . 73.42 110.853 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 11' ' ' MET . 9.7 mt -138.44 114.06 9.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 74.4 110.918 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.89 64.19 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 70.01 110.833 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.9 m -82.26 56.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 71.54 111.144 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -128.1 146.64 16.87 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.787 -0.721 . . . . 63.44 112.505 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -102.89 139.69 38.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 75.53 110.875 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.518 ' NE2' HD13 ' A' ' 24' ' ' LEU . 11.3 m80 -91.27 138.06 31.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 62.42 110.844 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.9 t -51.63 148.63 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 62.13 110.875 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.797 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -99.18 15.75 25.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 65.51 111.124 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -131.05 -40.13 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.957 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.7 p -116.25 -14.51 11.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 33.11 110.838 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 62.58 66.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 73.13 110.886 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -119.16 118.24 30.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 61.42 110.917 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.518 HD13 ' NE2' ' A' ' 17' ' ' HIS . 59.0 tp -65.05 107.68 1.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.43 110.942 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.34 156.34 28.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 64.42 110.864 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -85.57 -39.48 17.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 75.5 110.863 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mt -110.09 83.41 3.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.567 0.698 . . . . 71.25 110.921 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 129.99 18.51 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 73.03 112.349 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -87.85 112.17 22.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 74.24 110.859 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -84.05 125.24 31.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 73.1 110.874 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.5 t -85.96 131.67 34.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 62.01 110.829 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.03 18.27 8.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.87 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.9 m-30 -116.53 -47.25 2.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 64.02 110.862 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.4 p -108.07 -17.05 14.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 75.01 110.878 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 t30 67.91 60.38 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 52.04 110.88 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -144.0 160.86 40.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 71.33 110.841 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -97.87 141.64 30.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 62.22 110.842 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.797 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 75.4 m-85 -151.37 135.88 16.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 72.14 110.888 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.7 p -50.41 158.82 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 74.01 110.91 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -34.93 60.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 70.41 110.857 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.99 -27.06 69.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 70.13 110.891 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -120.05 21.48 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 64.14 110.872 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -58.15 -39.8 79.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 71.42 110.868 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -52.75 168.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 41.4 110.896 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -62.21 1.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.94 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.508 ' HG2' HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -54.75 -27.17 39.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 72.13 110.886 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -49.88 -53.28 26.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.477 . . . . 73.23 110.811 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -97.6 19.35 13.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 70.44 110.838 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 46.2 61.96 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 70.31 110.875 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.0 t -50.48 135.62 22.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 62.41 110.912 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 -52.5 -41.76 63.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 74.45 110.864 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 41.8 t90 -57.07 -39.21 74.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 65.23 110.948 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.508 HD13 ' HG2' ' A' ' 46' ' ' GLU . 3.2 mt -64.12 -36.01 82.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 71.13 110.895 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.64 -54.85 9.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 71.44 110.962 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -61.69 -37.34 83.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.814 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -118.92 85.05 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 71.1 110.842 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.4 88.53 6.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 51.23 110.889 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -55.3 174.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 65.14 110.908 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.3 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 53.4 111.133 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.659 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.3 ptp . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.794 0.33 . . . . 64.31 110.869 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.659 HD23 ' O ' ' A' ' 11' ' ' MET . 8.2 mt -138.84 112.81 8.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 73.23 110.901 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -142.42 69.83 1.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.894 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 14' ' ' VAL . 7.4 p -119.81 26.4 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 71.23 111.166 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.8 154.64 26.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 73.21 112.497 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 132.27 53.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.815 0.34 . . . . 72.34 110.875 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -82.82 138.3 34.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 74.32 110.873 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 t -51.68 147.77 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.854 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.797 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -98.77 16.14 23.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 21.33 111.094 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -130.93 -40.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 63.1 110.889 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.0 p -116.06 -15.42 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 72.1 110.856 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.59 65.91 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 74.4 110.87 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -119.21 117.28 28.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.11 110.901 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 tt -64.01 108.51 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 72.42 110.903 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.17 158.01 25.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 73.14 110.855 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -87.42 -38.17 16.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 62.51 110.871 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.94 81.94 2.86 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.615 0.722 . . . . 61.52 110.911 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.74 18.17 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.743 2.295 . . . . 71.13 112.326 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -83.97 111.35 19.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 73.33 110.865 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -86.04 121.06 28.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 73.31 110.872 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.78 130.02 34.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.908 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.17 19.42 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 75.43 110.879 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -118.43 -47.44 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 61.21 110.926 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -106.08 -16.64 14.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 63.2 110.899 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 67.36 60.21 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 74.53 110.864 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -146.91 153.84 40.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.873 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -97.84 141.61 30.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.863 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.797 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 69.4 m-85 -150.36 137.05 19.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 63.34 110.906 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 p -50.0 159.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 71.31 110.9 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.0 t -53.59 -35.09 60.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.23 110.864 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -62.81 -27.85 69.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 65.55 110.917 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -118.99 21.41 12.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.837 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -57.86 -39.3 77.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 72.1 110.883 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.9 mt -51.63 164.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.45 -62.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 52.44 110.87 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -56.48 -29.55 61.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 72.53 110.909 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.96 -53.34 27.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 75.3 110.876 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -95.43 21.15 8.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 71.12 110.884 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 50.95 55.57 9.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.843 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.6 t -51.79 125.44 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.925 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -53.29 -35.71 60.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 51.42 110.877 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 37.8 t90 -59.38 -39.81 84.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 73.52 110.901 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.7 mt -66.3 -35.95 81.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 64.35 110.924 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mt -72.16 -55.03 7.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 74.41 110.906 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.05 -36.1 74.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 71.13 110.89 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -122.68 82.4 1.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 73.42 110.825 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.02 78.35 1.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 74.32 110.874 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.33 145.59 29.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.4 110.894 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.7 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 70.1 111.158 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.801 0.334 . . . . 74.21 110.92 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.81 116.16 8.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 65.21 110.892 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -154.74 95.3 1.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 42.41 110.873 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.6 m -83.43 55.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 73.53 111.109 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.06 138.59 8.64 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 55.51 112.464 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.46 136.99 43.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 63.1 110.867 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -90.3 137.97 31.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 72.22 110.876 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.9 t -51.58 146.34 7.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 60.15 110.917 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.783 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -96.47 17.43 16.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 63.03 111.1 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -131.15 -46.71 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.43 110.891 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.0 p -111.22 -14.83 13.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 73.3 110.868 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 63.98 69.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 72.34 110.878 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -119.69 113.56 20.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 65.05 110.95 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.11 104.96 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 72.41 110.933 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.97 163.39 15.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 62.51 110.85 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -92.27 -39.97 11.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 75.15 110.873 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -109.81 83.64 2.92 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.585 0.707 . . . . 73.33 110.9 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 129.82 18.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 72.14 112.356 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -84.85 105.92 15.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 54.33 110.833 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -80.95 123.8 28.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 73.02 110.86 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.94 130.88 34.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 52.21 110.877 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.83 19.12 7.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 61.34 110.858 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -118.57 -47.29 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.894 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.7 p -106.22 -17.45 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 71.52 110.868 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 67.62 60.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 70.13 110.9 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -145.51 156.12 43.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 73.5 110.889 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.96 141.57 30.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 65.33 110.829 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.783 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 77.9 m-85 -151.73 137.23 17.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 73.22 110.879 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.6 p -49.89 158.1 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 52.33 110.897 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.7 p -53.5 -35.46 60.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 72.21 110.881 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -27.35 68.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 73.2 110.871 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -118.46 21.22 12.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 71.15 110.891 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.5 ptt-85 -56.71 -35.99 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 75.32 110.907 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.2 mt -54.86 168.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 73.23 110.917 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.08 -61.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 72.22 110.898 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.475 ' CG ' HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -54.67 -29.37 52.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.896 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -49.93 -53.38 26.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 74.45 110.862 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -96.61 21.1 9.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 70.33 110.835 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 51.05 54.45 11.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 61.15 110.877 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.4 t -52.18 124.31 12.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 63.21 110.901 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -35.69 58.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 74.05 110.873 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 41.6 t90 -56.69 -44.67 81.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 73.03 110.924 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.475 HD13 ' CG ' ' A' ' 46' ' ' GLU . 3.2 mt -62.24 -38.48 89.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.953 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.5 mt -72.54 -37.29 68.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 74.13 110.915 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.12 -36.24 72.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.901 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -99.46 58.34 1.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 73.15 110.859 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -100.8 91.69 4.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 72.52 110.9 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -116.43 41.92 2.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 70.13 110.904 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.7 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 71.44 111.121 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.588 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.2 mmm . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.864 0.364 . . . . 73.12 110.877 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.588 HD23 ' O ' ' A' ' 11' ' ' MET . 10.4 mt -143.32 -166.41 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 61.53 110.923 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.71 101.53 1.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 70.05 110.851 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.5 m -81.44 56.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 52.43 111.104 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -126.11 142.49 13.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 43.14 112.518 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 135.14 42.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 74.12 110.912 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -86.83 136.67 32.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 72.12 110.894 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 t -51.63 150.14 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.01 110.858 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.804 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -99.42 14.46 29.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 71.15 111.051 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -130.82 -40.76 1.18 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 73.14 110.9 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.2 p -114.94 -13.4 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.904 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.31 66.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 72.51 110.896 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -119.38 118.35 30.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 55.42 110.896 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 tt -66.19 105.01 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 72.03 110.916 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -113.35 159.83 19.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 72.21 110.866 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -89.4 -35.45 16.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.35 110.857 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.1 82.02 6.75 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.606 0.717 . . . . 74.21 110.9 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 129.76 18.11 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.263 . . . . 71.11 112.306 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -86.7 105.98 17.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 71.04 110.888 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -81.5 122.12 27.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 64.21 110.847 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 t -85.73 128.41 34.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 51.23 110.919 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.26 21.76 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.844 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -118.44 -47.34 2.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 71.45 110.91 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.1 p -106.23 -15.14 14.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 62.21 110.898 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t30 67.36 60.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 54.3 110.869 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -147.08 153.95 40.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.923 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -97.9 141.74 30.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 74.24 110.893 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.804 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 74.3 m-85 -151.5 137.62 18.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 73.54 110.903 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.5 p -50.28 156.71 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.886 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.2 p -53.28 -35.68 60.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 63.44 110.878 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.8 -28.04 68.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 62.32 110.883 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -117.64 21.26 13.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.2 110.832 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 -56.34 -36.65 69.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 72.35 110.881 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.4 mt -51.99 168.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.97 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -62.18 1.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 70.25 110.897 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -30.2 57.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 71.22 110.91 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -49.82 -53.3 26.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 74.34 110.872 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -97.19 20.3 11.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 74.25 110.869 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 49.06 56.45 7.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 72.22 110.909 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.3 t -51.72 128.53 23.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 61.11 110.86 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.94 -35.87 59.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 73.33 110.882 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 39.1 t90 -60.13 -40.26 89.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 71.21 110.882 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 mt -63.81 -36.09 82.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 62.43 110.94 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mt -72.21 -54.93 8.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 64.21 110.89 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -61.36 -36.1 79.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 71.14 110.882 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -125.36 80.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 74.31 110.829 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.24 87.14 6.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.919 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -52.8 149.65 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 75.3 110.914 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 73.01 111.159 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.756 0.312 . . . . 74.13 110.901 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.12 114.86 8.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.89 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 58.95 91.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 72.31 110.877 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 14' ' ' VAL . 7.5 p -130.64 26.54 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 64.42 111.136 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.66 150.65 9.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 62.53 112.476 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.12 136.06 44.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 64.44 110.887 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.554 ' NE2' HD13 ' A' ' 24' ' ' LEU . 11.8 m80 -87.92 138.84 31.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 73.42 110.831 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.7 t -51.66 148.87 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 61.14 110.855 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.79 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -99.59 15.68 25.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 63.15 111.105 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -131.0 -40.09 1.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 75.21 110.915 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.1 p -116.46 -14.09 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 73.04 110.877 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 62.4 66.61 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 71.14 110.846 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -119.08 118.15 30.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 62.42 110.922 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.554 HD13 ' NE2' ' A' ' 17' ' ' HIS . 52.5 tp -64.76 108.39 1.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 62.31 110.897 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -118.28 156.93 27.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 71.21 110.83 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -86.34 -39.92 15.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.886 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mt -110.06 83.37 2.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.57 0.7 . . . . 73.25 110.948 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 129.75 18.17 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.638 2.226 . . . . 73.4 112.396 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -84.08 107.01 16.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -82.1 121.83 27.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 70.1 110.862 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.87 130.55 34.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 45.34 110.875 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.27 19.32 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 74.05 110.875 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -118.59 -47.45 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 63.14 110.874 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -106.18 -16.76 14.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 72.4 110.894 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.6 t30 67.46 60.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.865 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -146.67 154.55 41.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 54.31 110.854 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -97.88 141.84 30.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 62.24 110.913 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.79 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 72.4 m-85 -150.9 136.7 18.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.886 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 p -49.99 159.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 73.22 110.909 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 p -53.53 -35.36 60.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 71.13 110.865 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -27.91 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 63.52 110.906 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -118.85 21.47 12.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 63.12 110.904 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -58.19 -39.12 78.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 73.12 110.842 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.3 mt -51.75 164.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.934 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HB3' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -71.71 -61.99 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 74.34 110.916 179.834 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -56.94 -29.1 62.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 75.21 110.895 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.9 -53.43 25.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 71.21 110.838 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -95.2 21.21 8.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 63.14 110.888 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 51.34 54.87 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.865 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.7 t -52.21 123.7 11.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 63.33 110.911 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -52.99 -35.55 59.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.847 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 39.5 t90 -59.44 -42.68 92.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 72.31 110.916 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.41 HD12 ' HB3' ' A' ' 45' ' ' LYS . 3.3 mt -63.05 -41.18 99.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 65.52 110.971 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.97 -36.0 69.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 73.52 110.888 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.14 -36.17 72.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.85 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -110.8 61.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 74.34 110.832 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -86.58 96.48 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 73.34 110.899 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -110.22 55.58 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 63.31 110.886 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 65.2 111.149 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.0 ptp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.823 0.344 . . . . 75.25 110.851 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.13 115.18 9.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.943 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -139.76 75.66 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 62.53 110.871 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.9 m -82.41 56.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 75.12 111.105 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -125.84 141.88 13.26 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 64.35 112.515 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -108.25 129.01 55.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.818 0.342 . . . . 75.23 110.89 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.635 ' NE2' HD13 ' A' ' 24' ' ' LEU . 10.5 m80 -81.09 133.32 35.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 63.22 110.88 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.4 t -50.76 136.01 22.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 61.25 110.858 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.71 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -90.55 22.39 3.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 75.24 111.106 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -131.74 -39.08 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 75.11 110.918 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.6 p -129.37 8.82 5.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 75.32 110.885 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? 46.87 73.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.53 110.84 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -120.07 115.65 24.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 64.43 110.928 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.635 HD13 ' NE2' ' A' ' 17' ' ' HIS . 60.1 tp -70.43 104.72 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 71.44 110.923 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.42 164.15 16.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.827 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -92.16 -37.46 12.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.849 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.21 82.94 2.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 73.33 110.928 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 129.64 17.98 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 53.24 112.344 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -78.25 105.87 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 65.41 110.835 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -82.48 117.85 22.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.864 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 t -85.64 129.03 34.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 70.53 110.916 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.36 20.5 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 50.31 110.86 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -118.46 -47.23 2.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 63.12 110.889 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.4 p -107.63 -14.27 14.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 71.42 110.859 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 67.23 59.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 71.54 110.87 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -147.96 148.57 30.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 73.14 110.93 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -97.94 144.26 27.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.851 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.71 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 72.4 m-85 -151.18 144.32 24.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.2 110.869 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.1 p -50.3 155.69 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 62.12 110.836 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.37 -43.43 61.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 64.14 110.837 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -53.55 -29.91 39.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.88 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -112.15 20.97 16.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 71.22 110.83 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -55.39 -34.75 64.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 72.53 110.871 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.4 mt -55.73 168.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 52.54 110.921 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -62.3 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 71.34 110.871 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -54.85 -29.48 55.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.862 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -49.86 -53.31 26.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 73.41 110.849 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -95.94 20.41 10.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 72.43 110.834 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 49.01 57.21 6.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 72.32 110.811 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.1 t -51.62 130.74 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 75.04 110.885 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.9 -45.88 67.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 72.22 110.852 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -53.03 -38.33 62.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 73.43 110.92 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.5 mt -64.95 -36.89 85.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 70.33 110.944 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.6 mt -72.3 -55.06 7.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 50.14 110.924 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.5 -36.02 79.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.912 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -123.02 83.6 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 73.31 110.849 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -75.59 88.28 2.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 74.2 110.882 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -58.32 129.5 42.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 72.43 110.874 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 72.12 111.135 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.5 mtp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.811 0.339 . . . . 73.25 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.8 119.09 7.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 65.21 110.9 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.17 82.2 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.854 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.2 m -82.86 55.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 72.11 111.151 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.39 139.9 10.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 53.32 112.522 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.94 131.25 43.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 72.43 110.863 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -85.65 137.24 32.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 73.21 110.879 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -51.19 151.15 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 52.24 110.854 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.803 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -98.9 14.73 27.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 75.34 111.1 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -130.71 -48.19 1.05 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 74.35 110.912 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -110.7 -7.53 14.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 73.41 110.879 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 54.9 70.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 65.12 110.881 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -119.56 113.53 20.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.15 110.889 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.92 104.85 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 75.35 110.94 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.72 157.7 22.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 65.02 110.875 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -90.2 -35.29 15.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 65.35 110.919 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.87 82.61 6.85 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.65 0.738 . . . . 62.24 110.893 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 129.66 18.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.71 2.273 . . . . 73.13 112.358 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -85.37 105.93 16.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 74.03 110.89 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -78.29 122.38 25.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 72.45 110.859 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.5 t -85.76 130.33 34.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 73.53 110.93 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.03 21.76 5.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 61.32 110.866 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -118.34 -47.25 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 75.3 110.886 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 p -109.36 -14.85 14.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 73.14 110.887 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.8 t30 67.55 60.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 70.43 110.885 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -145.36 157.42 44.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 70.34 110.929 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -97.87 142.63 29.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 70.01 110.89 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.803 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 84.8 m-85 -151.85 137.89 18.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 75.23 110.898 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.6 p -50.46 159.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 73.32 110.908 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.5 p -51.88 -46.34 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 71.14 110.834 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -55.32 -26.37 40.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 53.41 110.914 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -115.76 21.23 14.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.866 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -61.38 -35.57 77.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.51 110.881 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.8 mt -54.71 166.78 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 73.12 110.91 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -62.43 1.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 73.01 110.906 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -57.51 -27.92 62.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.895 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -49.82 -53.51 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 64.05 110.854 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -95.18 20.05 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 61.11 110.892 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 47.75 59.07 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 55.24 110.883 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.0 t -54.6 129.14 35.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 62.44 110.873 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -35.51 60.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 64.34 110.843 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 34.5 t90 -61.12 -39.21 89.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 74.04 110.944 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.5 mt -64.66 -36.22 83.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 62.13 110.882 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.96 -54.98 8.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 65.32 110.959 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -60.32 -36.18 77.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 73.33 110.881 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -120.6 82.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 73.5 110.881 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.55 91.05 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 71.41 110.809 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -72.72 -178.81 2.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.827 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.6 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 75.31 111.108 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.491 -0.244 . . . . 33.11 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.77 139.55 39.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.802 0.334 . . . . 72.24 110.873 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.435 ' NE2' HD12 ' A' ' 24' ' ' LEU . 11.2 m80 -91.21 138.41 31.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 64.43 110.851 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.1 t -51.85 147.88 6.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 63.53 110.843 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.801 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -98.82 15.97 23.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.23 111.096 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -131.04 -40.2 1.17 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.24 -0.436 . . . . 74.14 110.943 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.0 p -116.62 -14.3 10.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 70.44 110.867 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.5 mmm-85 62.52 66.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.864 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -119.11 117.01 27.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 63.04 110.923 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.435 HD12 ' NE2' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -63.85 107.84 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 45.2 110.893 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.1 157.0 27.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.875 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -86.28 -39.0 16.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 63.43 110.869 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.37 83.12 3.03 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.564 0.697 . . . . 73.42 110.896 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.79 18.17 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 71.44 112.372 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -84.53 107.82 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 73.52 110.834 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -82.98 121.86 27.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 74.33 110.881 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.74 129.86 34.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 64.3 110.868 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.19 19.85 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 75.33 110.808 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.51 -47.41 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 74.13 110.905 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.7 p -106.42 -16.03 14.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 32.53 110.894 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 67.54 60.28 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 75.14 110.851 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -146.78 153.74 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 65.15 110.845 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.89 141.82 30.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 64.3 110.883 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.801 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 70.8 m-85 -150.56 137.95 19.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 70.32 110.856 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.8 p -50.16 157.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 64.43 110.889 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.09 -36.08 60.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 31.41 110.872 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.73 -28.78 68.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 73.24 110.923 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -117.57 21.35 13.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 72.53 110.851 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.3 ptt-85 -55.65 -37.54 68.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.834 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.6 mt -53.33 167.64 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 73.34 110.93 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.9 -61.31 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.935 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -54.79 -29.53 54.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 72.14 110.865 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -49.86 -53.37 26.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 72.23 110.891 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -96.44 20.88 9.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 75.4 110.866 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 50.43 55.63 9.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 62.31 110.879 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.12 110.852 -179.902 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.487 -0.245 . . . . 35.12 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.0 136.36 43.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 53.32 110.902 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -85.77 135.56 33.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 74.54 110.825 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.9 t -51.63 142.52 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.856 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.789 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -94.44 18.54 11.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.52 111.083 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -131.35 -41.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.878 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.5 p -116.04 -17.9 10.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 61.41 110.869 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 66.65 63.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 72.22 110.897 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -119.18 114.94 23.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 71.3 110.931 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.98 110.09 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 74.42 110.919 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.94 157.41 27.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.841 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -85.98 -39.22 17.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.899 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.86 81.98 2.83 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.636 0.731 . . . . 72.31 110.902 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 129.69 18.02 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.283 . . . . 73.32 112.314 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -83.18 113.4 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 72.5 110.931 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -87.87 120.71 29.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 74.03 110.898 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.74 129.89 34.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 43.04 110.846 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.09 19.58 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 70.31 110.862 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.47 -47.51 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 74.55 110.883 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.9 p -106.24 -16.32 14.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 75.11 110.884 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 t30 67.25 60.26 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 73.22 110.904 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -146.85 154.02 40.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.24 110.882 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -97.76 141.6 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 62.21 110.883 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.789 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 69.1 m-85 -150.48 136.47 18.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 74.51 110.865 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 p -49.9 159.62 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 65.24 110.861 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -53.57 -35.2 60.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 50.13 110.851 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -27.86 69.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 73.13 110.9 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -118.98 21.4 12.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 72.21 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -58.31 -39.1 78.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 60.23 110.841 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.2 mt -51.83 163.79 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 73.03 110.928 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.63 -62.17 1.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 75.04 110.866 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -56.63 -29.44 62.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 74.31 110.858 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.97 -53.44 26.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 71.32 110.861 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -95.33 20.97 8.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 64.12 110.899 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 50.63 56.11 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 71.33 110.874 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 74.14 110.881 -179.921 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.473 -0.251 . . . . 61.34 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.84 139.43 38.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.329 . . . . 71.12 110.915 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -91.62 137.65 32.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 71.52 110.871 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.0 t -51.49 148.18 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 65.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.799 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -98.85 15.82 24.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 70.22 111.065 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -130.92 -40.02 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 74.4 110.943 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.8 p -116.16 -15.03 11.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.517 . . . . 71.53 110.88 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.0 mmm-85 62.93 66.1 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.836 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -119.14 117.29 28.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.934 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.61 107.6 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 72.44 110.909 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.04 158.79 23.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 71.43 110.876 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -87.62 -39.6 14.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mt -110.32 83.1 2.98 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.605 0.717 . . . . 75.31 110.895 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 129.74 18.08 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.707 2.271 . . . . 43.11 112.333 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -84.82 106.38 16.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.34 110.841 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -81.29 122.6 27.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.23 110.84 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.74 129.89 34.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.898 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.33 19.99 7.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 54.22 110.861 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.57 -47.37 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 63.33 110.903 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.8 p -106.07 -16.63 14.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 42.03 110.919 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 67.68 60.34 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 73.1 110.911 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -146.41 155.71 42.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 72.2 110.892 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -97.83 141.67 30.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.894 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.799 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 74.2 m-85 -151.25 136.74 17.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 65.22 110.867 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.2 p -50.21 157.49 0.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 72.01 110.866 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.2 m -53.23 -36.37 60.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.842 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -28.18 68.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.906 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -118.61 21.28 12.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 72.02 110.871 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.0 ptt85 -55.28 -38.75 69.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 73.51 110.898 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -51.83 167.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 71.45 110.887 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.06 -61.53 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.923 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -54.72 -29.5 53.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 73.32 110.881 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -49.83 -53.37 25.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 74.35 110.936 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -96.67 20.93 10.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 64.13 110.864 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 50.59 55.6 9.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 71.43 110.843 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 70.14 110.875 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.499 -0.241 . . . . 72.42 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.7 132.34 50.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 53.22 110.938 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.533 ' NE2' HD13 ' A' ' 24' ' ' LEU . 11.4 m80 -83.85 137.97 33.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 71.43 110.876 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.8 t -51.58 148.72 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 61.52 110.843 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.803 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -99.2 15.61 25.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 72.12 111.126 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -131.0 -40.18 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 75.14 110.919 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.5 p -116.21 -14.22 11.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 63.23 110.878 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 62.4 66.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.834 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -119.2 118.42 31.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.889 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.533 HD13 ' NE2' ' A' ' 17' ' ' HIS . 56.3 tp -65.26 107.58 1.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 73.11 110.953 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -117.3 157.76 25.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 64.31 110.903 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -87.54 -38.08 16.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 71.55 110.924 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.05 82.05 3.0 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.604 0.716 . . . . 62.32 110.909 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 129.72 18.12 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.696 2.264 . . . . 70.32 112.343 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -84.31 110.18 18.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 74.11 110.869 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -84.83 121.26 27.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 73.34 110.882 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.77 130.03 34.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 71.23 110.89 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.36 19.64 8.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.879 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -118.55 -47.38 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 53.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -106.12 -16.4 14.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 64.15 110.919 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 t30 67.24 60.24 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.873 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -146.93 153.95 40.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 55.03 110.899 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -97.9 141.87 30.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 72.53 110.865 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.803 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 72.0 m-85 -150.77 137.2 18.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.881 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.9 p -49.97 159.2 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 63.33 110.891 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.43 -35.58 60.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 75.13 110.84 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.2 -28.08 69.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 72.31 110.877 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -118.6 21.35 12.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.31 110.847 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -57.58 -39.22 76.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.894 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.7 mt -51.6 164.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 54.35 110.912 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -62.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 72.42 110.895 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -56.62 -29.48 62.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 70.42 110.901 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.93 -53.39 26.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 71.53 110.856 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -95.43 21.06 8.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.24 110.837 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 50.89 55.88 8.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 73.25 110.835 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.879 -179.951 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.493 -0.243 . . . . 74.34 112.493 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.89 139.67 40.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.792 0.329 . . . . 72.01 110.915 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -90.45 138.31 31.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 73.53 110.831 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.5 t -51.74 146.85 7.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 72.02 110.867 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.793 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -97.37 16.56 19.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 72.44 111.117 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -131.16 -43.51 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 64.34 110.927 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.8 p -113.03 -15.09 12.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 71.05 110.897 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 63.43 66.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.858 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -119.11 116.81 27.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 74.43 110.943 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.13 107.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 64.33 110.958 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -116.89 155.5 28.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 74.21 110.863 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -85.06 -39.37 18.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.884 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 mt -110.51 83.25 3.21 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.597 0.713 . . . . 73.4 110.92 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 129.71 18.13 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.721 2.281 . . . . 64.21 112.364 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -87.12 109.53 19.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 70.12 110.86 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -84.91 123.34 30.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 72.22 110.872 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.4 t -85.85 129.73 34.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 63.13 110.855 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.36 20.78 6.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 72.4 110.835 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -118.45 -47.35 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 71.14 110.904 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 p -107.23 -14.0 15.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 61.52 110.86 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 67.01 60.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 74.53 110.9 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -147.7 150.51 34.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 74.1 110.866 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -97.95 143.16 28.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 75.11 110.881 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.793 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 71.3 m-85 -150.83 141.73 22.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 74.52 110.876 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.6 p -50.03 157.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 74.01 110.901 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.7 p -51.81 -46.22 64.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 44.5 110.847 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -53.98 -27.31 30.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.896 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -115.63 21.37 14.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 72.55 110.868 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -59.47 -35.05 73.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 73.42 110.86 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.9 mt -54.51 169.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.9 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.08 -62.21 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 72.33 110.888 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -54.97 -29.64 57.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 75.54 110.838 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -49.88 -53.37 26.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 62.15 110.844 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -96.39 20.41 10.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 72.02 110.899 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 49.03 56.61 7.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.894 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 64.23 110.896 -179.909 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.509 -0.236 . . . . 41.44 112.509 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.96 136.61 41.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 63.21 110.907 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -89.28 136.14 33.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 72.12 110.825 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.3 t -51.45 144.17 10.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 72.51 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.792 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -95.38 18.66 12.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.23 111.075 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -131.27 -44.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 73.55 110.911 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 p -114.44 -16.11 11.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 65.55 110.896 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 66.05 68.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 75.45 110.845 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -119.74 113.58 20.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 75.5 110.869 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.21 104.94 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 72.43 110.945 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.22 162.37 17.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 54.13 110.9 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -91.67 -38.05 12.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 50.13 110.919 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.65 82.14 2.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 71.15 110.906 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 129.8 18.21 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.672 2.248 . . . . 72.11 112.337 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -84.34 105.93 15.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 54.41 110.846 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -82.23 122.26 27.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.882 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -85.78 129.75 34.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 73.52 110.88 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.03 20.34 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 45.43 110.864 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.55 -47.3 2.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.866 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.3 p -106.95 -14.87 14.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 40.13 110.86 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 67.28 60.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.15 110.882 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -147.54 150.4 34.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 75.43 110.85 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.89 143.78 28.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.876 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.792 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 77.4 m-85 -151.5 140.55 21.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 44.15 110.899 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.3 p -50.04 157.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 74.21 110.907 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.52 -35.83 61.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 64.14 110.88 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.46 -27.48 68.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 51.13 110.856 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -118.14 21.31 12.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.816 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -57.27 -36.91 71.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 73.43 110.873 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.0 mt -52.45 168.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 64.43 110.934 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -62.31 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 75.43 110.873 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -55.0 -29.54 57.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 72.22 110.916 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -49.9 -53.28 27.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 54.3 110.905 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -96.29 20.57 10.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 61.15 110.798 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 49.11 56.8 7.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.43 110.897 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.89 -179.911 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.47 -0.252 . . . . 73.03 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.53 139.02 39.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.789 0.328 . . . . 70.31 110.898 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.444 ' NE2' HD12 ' A' ' 24' ' ' LEU . 11.7 m80 -91.08 138.68 31.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 74.11 110.886 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.5 t -51.44 148.65 4.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 74.45 110.875 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.799 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -99.56 15.66 25.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 54.21 111.122 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -130.95 -40.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 72.1 110.926 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.7 p -116.79 -13.8 10.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.067 -0.515 . . . . 73.03 110.834 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.8 mmm-85 62.25 66.77 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 64.22 110.849 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -119.09 118.21 30.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 61.3 110.913 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.444 HD12 ' NE2' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -64.77 108.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 74.43 110.938 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -118.73 156.2 29.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 54.44 110.904 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -85.97 -39.07 17.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 73.41 110.862 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mt -110.18 83.16 2.92 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.605 0.717 . . . . 65.12 110.941 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 129.77 18.19 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.716 2.277 . . . . 75.33 112.328 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -83.88 108.04 16.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 72.14 110.86 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -83.1 120.93 26.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 54.3 110.845 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.77 129.59 34.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 61.53 110.858 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.96 19.94 7.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 54.51 110.876 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -118.49 -47.36 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 63.43 110.896 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.8 p -106.82 -16.17 14.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 43.01 110.87 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t30 67.48 60.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 64.12 110.846 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -146.82 153.4 40.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 63.42 110.88 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -97.85 141.7 30.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.875 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.799 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 69.2 m-85 -150.42 137.34 19.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 71.35 110.884 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 p -49.89 159.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 61.23 110.9 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -53.18 -36.14 60.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 52.12 110.855 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.35 -28.82 69.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 74.01 110.893 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -117.15 21.27 13.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 75.5 110.844 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -57.47 -38.59 74.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 72.22 110.899 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.2 mt -52.42 165.62 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 64.35 110.915 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -62.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 72.1 110.947 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -56.92 -29.1 62.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 72.04 110.902 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.93 -53.44 26.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.869 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -95.08 21.03 8.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 63.32 110.848 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 50.41 55.86 8.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 72.22 110.871 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 64.51 110.885 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.525 -0.23 . . . . 74.44 112.525 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -103.19 134.82 45.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 73.01 110.909 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -89.68 138.68 31.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 74.41 110.861 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 t -51.26 149.0 4.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 74.05 110.862 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.795 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -98.94 16.34 22.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 62.4 111.084 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -130.93 -45.33 1.04 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 63.02 110.972 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.4 p -113.02 -12.53 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 64.12 110.897 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.52 70.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 72.23 110.886 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -119.65 113.68 21.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.44 110.923 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.94 104.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 73.51 110.924 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.04 162.83 16.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 55.15 110.872 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -92.73 -39.35 11.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 72.45 110.896 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.91 83.78 3.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.74 . . . . 72.1 110.866 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 129.92 18.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.281 . . . . 73.34 112.328 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -86.34 106.91 17.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 72.45 110.893 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -79.29 125.57 29.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 75.32 110.9 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.1 t -85.93 132.27 34.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 62.33 110.858 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.03 17.67 9.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 75.02 110.863 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.9 m-30 -116.61 -47.2 2.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 65.45 110.927 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.7 p -107.93 -16.96 14.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.926 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 t30 67.7 60.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 73.22 110.91 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -144.07 160.13 41.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 73.51 110.857 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -97.82 142.0 30.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 64.3 110.872 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.795 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 83.1 m-85 -151.77 136.93 17.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.863 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.5 p -50.44 159.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 45.12 110.864 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.3 p -53.66 -35.75 61.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.876 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.37 -27.14 68.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 71.52 110.916 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -119.21 21.31 12.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 71.34 110.861 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.43 -38.89 78.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 75.55 110.839 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.5 mt -54.24 167.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 41.4 110.933 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -61.95 1.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 75.24 110.932 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.63 -27.08 37.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 73.53 110.917 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -49.87 -53.24 26.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 74.3 110.888 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -97.68 19.37 13.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.865 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 46.49 61.87 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 65.12 110.825 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 31.41 110.872 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.505 -0.238 . . . . 63.44 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -102.89 139.69 38.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 75.53 110.875 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.518 ' NE2' HD13 ' A' ' 24' ' ' LEU . 11.3 m80 -91.27 138.06 31.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 62.42 110.844 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.9 t -51.63 148.63 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 62.13 110.875 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.797 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -99.18 15.75 25.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 65.51 111.124 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -131.05 -40.13 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.957 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.7 p -116.25 -14.51 11.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 33.11 110.838 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 62.58 66.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 73.13 110.886 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -119.16 118.24 30.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 61.42 110.917 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.518 HD13 ' NE2' ' A' ' 17' ' ' HIS . 59.0 tp -65.05 107.68 1.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.43 110.942 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.34 156.34 28.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 64.42 110.864 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -85.57 -39.48 17.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 75.5 110.863 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mt -110.09 83.41 3.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.567 0.698 . . . . 71.25 110.921 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 129.99 18.51 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 73.03 112.349 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -87.85 112.17 22.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 74.24 110.859 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -84.05 125.24 31.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 73.1 110.874 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.5 t -85.96 131.67 34.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 62.01 110.829 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.03 18.27 8.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.87 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.9 m-30 -116.53 -47.25 2.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 64.02 110.862 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.4 p -108.07 -17.05 14.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 75.01 110.878 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 67.91 60.38 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 52.04 110.88 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -144.0 160.86 40.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 71.33 110.841 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -97.87 141.64 30.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 62.22 110.842 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.797 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 75.4 m-85 -151.37 135.88 16.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 72.14 110.888 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.7 p -50.41 158.82 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 74.01 110.91 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -34.93 60.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 70.41 110.857 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.99 -27.06 69.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 70.13 110.891 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -120.05 21.48 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 64.14 110.872 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -58.15 -39.8 79.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 71.42 110.868 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -52.75 168.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 41.4 110.896 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -62.21 1.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.94 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -27.17 39.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 72.13 110.886 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -49.88 -53.28 26.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.477 . . . . 73.23 110.811 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -97.6 19.35 13.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 70.44 110.838 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 46.2 61.96 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 70.31 110.875 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 62.41 110.912 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.497 -0.241 . . . . 73.21 112.497 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 132.27 53.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.815 0.34 . . . . 72.34 110.875 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -82.82 138.3 34.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 74.32 110.873 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 t -51.68 147.77 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.854 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.797 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -98.77 16.14 23.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 21.33 111.094 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -130.93 -40.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 63.1 110.889 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.0 p -116.06 -15.42 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 72.1 110.856 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.59 65.91 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 74.4 110.87 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -119.21 117.28 28.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.11 110.901 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 tt -64.01 108.51 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 72.42 110.903 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.17 158.01 25.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 73.14 110.855 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -87.42 -38.17 16.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 62.51 110.871 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.94 81.94 2.86 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.615 0.722 . . . . 61.52 110.911 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.74 18.17 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.743 2.295 . . . . 71.13 112.326 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -83.97 111.35 19.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 73.33 110.865 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -86.04 121.06 28.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 73.31 110.872 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.78 130.02 34.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.908 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.17 19.42 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 75.43 110.879 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -118.43 -47.44 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 61.21 110.926 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -106.08 -16.64 14.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 63.2 110.899 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 67.36 60.21 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 74.53 110.864 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -146.91 153.84 40.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.873 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -97.84 141.61 30.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.863 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.797 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 69.4 m-85 -150.36 137.05 19.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 63.34 110.906 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 p -50.0 159.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 71.31 110.9 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.0 t -53.59 -35.09 60.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.23 110.864 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -62.81 -27.85 69.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 65.55 110.917 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -118.99 21.41 12.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.837 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -57.86 -39.3 77.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 72.1 110.883 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.9 mt -51.63 164.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.45 -62.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 52.44 110.87 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -56.48 -29.55 61.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 72.53 110.909 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.96 -53.34 27.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 75.3 110.876 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -95.43 21.15 8.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 71.12 110.884 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 50.95 55.57 9.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.843 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.6 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.925 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.464 -0.255 . . . . 55.51 112.464 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.46 136.99 43.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 63.1 110.867 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -90.3 137.97 31.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 72.22 110.876 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.9 t -51.58 146.34 7.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 60.15 110.917 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.783 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -96.47 17.43 16.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 63.03 111.1 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -131.15 -46.71 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.43 110.891 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.0 p -111.22 -14.83 13.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 73.3 110.868 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 63.98 69.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 72.34 110.878 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -119.69 113.56 20.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 65.05 110.95 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.11 104.96 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 72.41 110.933 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.97 163.39 15.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 62.51 110.85 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -92.27 -39.97 11.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 75.15 110.873 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -109.81 83.64 2.92 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.585 0.707 . . . . 73.33 110.9 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 129.82 18.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 72.14 112.356 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -84.85 105.92 15.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 54.33 110.833 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -80.95 123.8 28.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 73.02 110.86 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.94 130.88 34.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 52.21 110.877 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.83 19.12 7.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 61.34 110.858 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -118.57 -47.29 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.894 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.7 p -106.22 -17.45 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 71.52 110.868 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 67.62 60.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 70.13 110.9 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -145.51 156.12 43.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 73.5 110.889 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.96 141.57 30.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 65.33 110.829 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.783 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 77.9 m-85 -151.73 137.23 17.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 73.22 110.879 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.6 p -49.89 158.1 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 52.33 110.897 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.7 p -53.5 -35.46 60.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 72.21 110.881 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -27.35 68.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 73.2 110.871 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -118.46 21.22 12.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 71.15 110.891 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.5 ptt-85 -56.71 -35.99 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 75.32 110.907 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.2 mt -54.86 168.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 73.23 110.917 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.08 -61.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 72.22 110.898 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -29.37 52.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.896 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -49.93 -53.38 26.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 74.45 110.862 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -96.61 21.1 9.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 70.33 110.835 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 51.05 54.45 11.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 61.15 110.877 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 63.21 110.901 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.518 -0.233 . . . . 43.14 112.518 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 135.14 42.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 74.12 110.912 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -86.83 136.67 32.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 72.12 110.894 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 t -51.63 150.14 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.01 110.858 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.804 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -99.42 14.46 29.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 71.15 111.051 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -130.82 -40.76 1.18 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 73.14 110.9 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.2 p -114.94 -13.4 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.904 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.31 66.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 72.51 110.896 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -119.38 118.35 30.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 55.42 110.896 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 tt -66.19 105.01 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 72.03 110.916 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -113.35 159.83 19.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 72.21 110.866 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -89.4 -35.45 16.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.35 110.857 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.1 82.02 6.75 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.606 0.717 . . . . 74.21 110.9 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 129.76 18.11 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.263 . . . . 71.11 112.306 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -86.7 105.98 17.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 71.04 110.888 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -81.5 122.12 27.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 64.21 110.847 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 t -85.73 128.41 34.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 51.23 110.919 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.26 21.76 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.844 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -118.44 -47.34 2.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 71.45 110.91 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.1 p -106.23 -15.14 14.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 62.21 110.898 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t30 67.36 60.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 54.3 110.869 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -147.08 153.95 40.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.923 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -97.9 141.74 30.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 74.24 110.893 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.804 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 74.3 m-85 -151.5 137.62 18.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 73.54 110.903 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.5 p -50.28 156.71 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.886 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.2 p -53.28 -35.68 60.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 63.44 110.878 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.8 -28.04 68.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 62.32 110.883 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -117.64 21.26 13.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.2 110.832 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 -56.34 -36.65 69.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 72.35 110.881 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.4 mt -51.99 168.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.97 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -62.18 1.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 70.25 110.897 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -30.2 57.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 71.22 110.91 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -49.82 -53.3 26.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 74.34 110.872 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -97.19 20.3 11.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 74.25 110.869 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 49.06 56.45 7.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 72.22 110.909 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.3 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 61.11 110.86 -179.903 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.476 -0.25 . . . . 62.53 112.476 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.12 136.06 44.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 64.44 110.887 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.554 ' NE2' HD13 ' A' ' 24' ' ' LEU . 11.8 m80 -87.92 138.84 31.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 73.42 110.831 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.7 t -51.66 148.87 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 61.14 110.855 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.79 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -99.59 15.68 25.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 63.15 111.105 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -131.0 -40.09 1.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 75.21 110.915 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.1 p -116.46 -14.09 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 73.04 110.877 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 62.4 66.61 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 71.14 110.846 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -119.08 118.15 30.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 62.42 110.922 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.554 HD13 ' NE2' ' A' ' 17' ' ' HIS . 52.5 tp -64.76 108.39 1.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 62.31 110.897 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -118.28 156.93 27.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 71.21 110.83 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -86.34 -39.92 15.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.886 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mt -110.06 83.37 2.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.57 0.7 . . . . 73.25 110.948 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 129.75 18.17 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.638 2.226 . . . . 73.4 112.396 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -84.08 107.01 16.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -82.1 121.83 27.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 70.1 110.862 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.87 130.55 34.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 45.34 110.875 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.27 19.32 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 74.05 110.875 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -118.59 -47.45 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 63.14 110.874 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -106.18 -16.76 14.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 72.4 110.894 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.6 t30 67.46 60.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.865 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -146.67 154.55 41.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 54.31 110.854 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -97.88 141.84 30.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 62.24 110.913 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.79 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 72.4 m-85 -150.9 136.7 18.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.886 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 p -49.99 159.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 73.22 110.909 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 p -53.53 -35.36 60.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 71.13 110.865 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -27.91 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 63.52 110.906 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -118.85 21.47 12.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 63.12 110.904 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -58.19 -39.12 78.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 73.12 110.842 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.3 mt -51.75 164.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.934 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -61.99 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 74.34 110.916 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -56.94 -29.1 62.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 75.21 110.895 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.9 -53.43 25.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 71.21 110.838 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -95.2 21.21 8.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 63.14 110.888 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 51.34 54.87 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.865 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.7 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 63.33 110.911 -179.937 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.515 -0.234 . . . . 64.35 112.515 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -108.25 129.01 55.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.818 0.342 . . . . 75.23 110.89 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.635 ' NE2' HD13 ' A' ' 24' ' ' LEU . 10.5 m80 -81.09 133.32 35.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 63.22 110.88 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.4 t -50.76 136.01 22.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 61.25 110.858 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.71 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -90.55 22.39 3.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 75.24 111.106 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -131.74 -39.08 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 75.11 110.918 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.6 p -129.37 8.82 5.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 75.32 110.885 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? 46.87 73.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.53 110.84 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -120.07 115.65 24.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 64.43 110.928 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.635 HD13 ' NE2' ' A' ' 17' ' ' HIS . 60.1 tp -70.43 104.72 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 71.44 110.923 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.42 164.15 16.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.827 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -92.16 -37.46 12.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.849 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.21 82.94 2.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 73.33 110.928 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 129.64 17.98 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 53.24 112.344 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -78.25 105.87 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 65.41 110.835 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -82.48 117.85 22.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.864 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 t -85.64 129.03 34.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 70.53 110.916 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.36 20.5 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 50.31 110.86 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -118.46 -47.23 2.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 63.12 110.889 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.4 p -107.63 -14.27 14.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 71.42 110.859 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 67.23 59.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 71.54 110.87 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -147.96 148.57 30.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 73.14 110.93 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -97.94 144.26 27.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.851 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.71 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 72.4 m-85 -151.18 144.32 24.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.2 110.869 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.1 p -50.3 155.69 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 62.12 110.836 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.37 -43.43 61.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 64.14 110.837 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -53.55 -29.91 39.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.88 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -112.15 20.97 16.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 71.22 110.83 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -55.39 -34.75 64.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 72.53 110.871 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.4 mt -55.73 168.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 52.54 110.921 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -62.3 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 71.34 110.871 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -54.85 -29.48 55.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.862 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -49.86 -53.31 26.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 73.41 110.849 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -95.94 20.41 10.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 72.43 110.834 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 49.01 57.21 6.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 72.32 110.811 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 75.04 110.885 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.522 -0.231 . . . . 53.32 112.522 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.94 131.25 43.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 72.43 110.863 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -85.65 137.24 32.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 73.21 110.879 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -51.19 151.15 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 52.24 110.854 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.803 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -98.9 14.73 27.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 75.34 111.1 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -130.71 -48.19 1.05 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 74.35 110.912 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -110.7 -7.53 14.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 73.41 110.879 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 54.9 70.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 65.12 110.881 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -119.56 113.53 20.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.15 110.889 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.92 104.85 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 75.35 110.94 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.72 157.7 22.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 65.02 110.875 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -90.2 -35.29 15.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 65.35 110.919 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.87 82.61 6.85 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.65 0.738 . . . . 62.24 110.893 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 129.66 18.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.71 2.273 . . . . 73.13 112.358 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -85.37 105.93 16.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 74.03 110.89 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -78.29 122.38 25.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 72.45 110.859 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.5 t -85.76 130.33 34.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 73.53 110.93 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.03 21.76 5.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 61.32 110.866 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -118.34 -47.25 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 75.3 110.886 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 p -109.36 -14.85 14.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 73.14 110.887 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.8 t30 67.55 60.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 70.43 110.885 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -145.36 157.42 44.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 70.34 110.929 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -97.87 142.63 29.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 70.01 110.89 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.803 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 84.8 m-85 -151.85 137.89 18.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 75.23 110.898 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.6 p -50.46 159.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 73.32 110.908 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.5 p -51.88 -46.34 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 71.14 110.834 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -55.32 -26.37 40.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 53.41 110.914 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -115.76 21.23 14.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.866 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -61.38 -35.57 77.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.51 110.881 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.8 mt -54.71 166.78 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 73.12 110.91 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -62.43 1.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 73.01 110.906 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -57.51 -27.92 62.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.895 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -49.82 -53.51 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 64.05 110.854 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -95.18 20.05 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 61.11 110.892 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 47.75 59.07 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 55.24 110.883 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.0 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 62.44 110.873 -179.925 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.1 mtt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.746 0.308 . . . . 54.42 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.54 116.68 8.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 63.12 110.957 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 51.99 59.99 4.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 61.12 110.911 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.3 m -83.05 55.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 42.24 111.116 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.09 152.67 27.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.694 -0.765 . . . . 33.11 112.491 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.77 139.55 39.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.802 0.334 . . . . 72.24 110.873 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.435 ' NE2' HD12 ' A' ' 24' ' ' LEU . 11.2 m80 -91.21 138.41 31.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 64.43 110.851 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.1 t -51.85 147.88 6.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 63.53 110.843 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.801 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -98.82 15.97 23.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.23 111.096 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -131.04 -40.2 1.17 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.24 -0.436 . . . . 74.14 110.943 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.0 p -116.62 -14.3 10.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 70.44 110.867 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.5 mmm-85 62.52 66.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.864 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -119.11 117.01 27.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 63.04 110.923 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.435 HD12 ' NE2' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -63.85 107.84 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 45.2 110.893 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.1 157.0 27.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.875 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -86.28 -39.0 16.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 63.43 110.869 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.37 83.12 3.03 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.564 0.697 . . . . 73.42 110.896 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.79 18.17 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 71.44 112.372 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -84.53 107.82 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 73.52 110.834 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -82.98 121.86 27.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 74.33 110.881 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.74 129.86 34.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 64.3 110.868 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.19 19.85 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 75.33 110.808 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.51 -47.41 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 74.13 110.905 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.7 p -106.42 -16.03 14.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 32.53 110.894 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 67.54 60.28 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 75.14 110.851 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -146.78 153.74 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 65.15 110.845 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.89 141.82 30.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 64.3 110.883 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.801 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 70.8 m-85 -150.56 137.95 19.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 70.32 110.856 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.8 p -50.16 157.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 64.43 110.889 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.09 -36.08 60.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 31.41 110.872 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.73 -28.78 68.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 73.24 110.923 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -117.57 21.35 13.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 72.53 110.851 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.3 ptt-85 -55.65 -37.54 68.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.834 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.6 mt -53.33 167.64 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 73.34 110.93 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.414 ' HB3' HD12 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -74.9 -61.31 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.935 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -54.79 -29.53 54.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 72.14 110.865 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -49.86 -53.37 26.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 72.23 110.891 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -96.44 20.88 9.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 75.4 110.866 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 50.43 55.63 9.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 62.31 110.879 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.2 t -51.84 126.24 17.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.12 110.852 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -53.03 -35.62 59.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 72.31 110.868 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 35.8 t90 -59.94 -41.39 91.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 75.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.414 HD12 ' HB3' ' A' ' 45' ' ' LYS . 3.5 mt -64.56 -41.94 95.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 75.5 110.908 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mt -70.89 -35.91 72.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.948 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -57.95 -36.53 72.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 73.33 110.881 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -126.5 83.3 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 64.42 110.868 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.97 96.99 5.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 71.21 110.883 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.59 146.79 52.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 64.32 110.899 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 53.32 111.144 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.585 ' O ' HD23 ' A' ' 12' ' ' LEU . 3.2 ptt? . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.826 0.346 . . . . 62.42 110.875 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 11' ' ' MET . 10.7 mt -143.04 -166.3 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 62.43 110.933 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 60.23 96.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.88 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.1 m -83.9 55.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 62.23 111.104 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.02 123.23 7.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 35.12 112.487 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.0 136.36 43.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 53.32 110.902 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -85.77 135.56 33.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 74.54 110.825 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.9 t -51.63 142.52 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.856 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.789 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -94.44 18.54 11.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.52 111.083 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -131.35 -41.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.878 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.5 p -116.04 -17.9 10.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 61.41 110.869 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 66.65 63.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 72.22 110.897 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -119.18 114.94 23.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 71.3 110.931 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.98 110.09 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 74.42 110.919 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.94 157.41 27.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.841 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -85.98 -39.22 17.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.899 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.86 81.98 2.83 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.636 0.731 . . . . 72.31 110.902 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 129.69 18.02 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.283 . . . . 73.32 112.314 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -83.18 113.4 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 72.5 110.931 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -87.87 120.71 29.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 74.03 110.898 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.74 129.89 34.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 43.04 110.846 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.09 19.58 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 70.31 110.862 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.47 -47.51 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 74.55 110.883 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.9 p -106.24 -16.32 14.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 75.11 110.884 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 t30 67.25 60.26 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 73.22 110.904 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -146.85 154.02 40.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.24 110.882 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -97.76 141.6 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 62.21 110.883 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.789 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 69.1 m-85 -150.48 136.47 18.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 74.51 110.865 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 p -49.9 159.62 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 65.24 110.861 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -53.57 -35.2 60.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 50.13 110.851 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -27.86 69.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 73.13 110.9 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -118.98 21.4 12.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 72.21 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -58.31 -39.1 78.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 60.23 110.841 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.2 mt -51.83 163.79 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 73.03 110.928 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.63 -62.17 1.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 75.04 110.866 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -56.63 -29.44 62.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 74.31 110.858 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.97 -53.44 26.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 71.32 110.861 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -95.33 20.97 8.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 64.12 110.899 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 50.63 56.11 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 71.33 110.874 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.3 t -51.82 125.14 14.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 74.14 110.881 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -53.07 -35.71 59.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 60.51 110.858 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -60.36 -39.96 89.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 72.5 110.897 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mt -65.37 -36.84 85.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 73.23 110.873 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.54 -54.76 9.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 64.44 110.942 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.91 -36.17 76.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.925 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -121.54 84.04 2.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 65.43 110.906 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -114.93 102.47 10.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 73.52 110.883 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -122.99 135.59 54.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 73.41 110.89 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.8 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 55.35 111.069 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.812 0.339 . . . . 74.3 110.86 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.98 107.47 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 72.41 110.861 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -146.33 65.64 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 64.11 110.891 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 m -82.71 55.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 61.23 111.104 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -128.26 147.15 17.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 61.34 112.473 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.84 139.43 38.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.329 . . . . 71.12 110.915 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -91.62 137.65 32.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 71.52 110.871 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.0 t -51.49 148.18 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 65.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.799 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -98.85 15.82 24.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 70.22 111.065 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -130.92 -40.02 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 74.4 110.943 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.8 p -116.16 -15.03 11.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.517 . . . . 71.53 110.88 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.0 mmm-85 62.93 66.1 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.836 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -119.14 117.29 28.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.934 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.61 107.6 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 72.44 110.909 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.04 158.79 23.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 71.43 110.876 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -87.62 -39.6 14.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mt -110.32 83.1 2.98 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.605 0.717 . . . . 75.31 110.895 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 129.74 18.08 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.707 2.271 . . . . 43.11 112.333 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -84.82 106.38 16.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.34 110.841 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -81.29 122.6 27.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.23 110.84 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.74 129.89 34.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.898 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.33 19.99 7.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 54.22 110.861 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.57 -47.37 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 63.33 110.903 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.8 p -106.07 -16.63 14.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 42.03 110.919 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 67.68 60.34 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 73.1 110.911 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -146.41 155.71 42.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 72.2 110.892 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -97.83 141.67 30.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.894 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.799 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 74.2 m-85 -151.25 136.74 17.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 65.22 110.867 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.2 p -50.21 157.49 0.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 72.01 110.866 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.2 m -53.23 -36.37 60.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.842 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -28.18 68.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.906 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -118.61 21.28 12.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 72.02 110.871 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.0 ptt85 -55.28 -38.75 69.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 73.51 110.898 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -51.83 167.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 71.45 110.887 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HB3' HD12 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -75.06 -61.53 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.923 179.795 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -54.72 -29.5 53.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 73.32 110.881 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -49.83 -53.37 25.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 74.35 110.936 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -96.67 20.93 10.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 64.13 110.864 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 50.59 55.6 9.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 71.43 110.843 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.0 t -51.8 126.74 18.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 70.14 110.875 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -52.93 -35.54 58.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 64.23 110.872 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 36.2 t90 -59.91 -41.53 91.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.863 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.407 HD12 ' HB3' ' A' ' 45' ' ' LYS . 3.5 mt -64.46 -41.56 96.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 65.02 110.908 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.27 -35.85 71.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 40.4 110.942 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.97 -36.31 72.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 54.03 110.885 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -110.28 61.56 0.6 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 75.15 110.816 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.41 80.0 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 61.13 110.905 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 53.25 -172.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 74.23 110.894 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 74.53 111.137 179.927 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.583 ' O ' HD23 ' A' ' 12' ' ' LEU . 27.1 mtt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.829 0.347 . . . . 73.42 110.894 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 11' ' ' MET . 10.2 mt -143.68 -166.41 2.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 71.52 110.979 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.14 40.78 1.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.906 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.8 m -79.39 58.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 73.13 111.134 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.08 148.02 6.51 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 72.42 112.499 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.7 132.34 50.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 53.22 110.938 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.533 ' NE2' HD13 ' A' ' 24' ' ' LEU . 11.4 m80 -83.85 137.97 33.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 71.43 110.876 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.8 t -51.58 148.72 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 61.52 110.843 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.803 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -99.2 15.61 25.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 72.12 111.126 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -131.0 -40.18 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 75.14 110.919 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.5 p -116.21 -14.22 11.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 63.23 110.878 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 62.4 66.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.834 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -119.2 118.42 31.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.889 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.533 HD13 ' NE2' ' A' ' 17' ' ' HIS . 56.3 tp -65.26 107.58 1.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 73.11 110.953 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -117.3 157.76 25.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 64.31 110.903 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -87.54 -38.08 16.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 71.55 110.924 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.05 82.05 3.0 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.604 0.716 . . . . 62.32 110.909 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 129.72 18.12 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.696 2.264 . . . . 70.32 112.343 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -84.31 110.18 18.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 74.11 110.869 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -84.83 121.26 27.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 73.34 110.882 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.77 130.03 34.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 71.23 110.89 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.36 19.64 8.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.879 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -118.55 -47.38 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 53.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -106.12 -16.4 14.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 64.15 110.919 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 t30 67.24 60.24 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.873 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -146.93 153.95 40.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 55.03 110.899 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -97.9 141.87 30.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 72.53 110.865 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.803 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 72.0 m-85 -150.77 137.2 18.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.881 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.9 p -49.97 159.2 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 63.33 110.891 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.43 -35.58 60.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 75.13 110.84 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.2 -28.08 69.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 72.31 110.877 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -118.6 21.35 12.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.31 110.847 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -57.58 -39.22 76.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.894 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.7 mt -51.6 164.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 54.35 110.912 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -62.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 72.42 110.895 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -56.62 -29.48 62.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 70.42 110.901 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.93 -53.39 26.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 71.53 110.856 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -95.43 21.06 8.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.24 110.837 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 50.89 55.88 8.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 73.25 110.835 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.4 t -51.89 124.49 12.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.879 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -52.98 -35.66 59.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.22 110.906 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -59.99 -40.09 87.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.31 110.919 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mt -65.49 -36.94 85.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.921 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.9 mt -71.61 -54.99 8.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 73.5 110.918 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -59.7 -35.98 75.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 75.3 110.922 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -122.38 79.18 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 74.25 110.872 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.62 103.02 12.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 53.33 110.866 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.9 144.57 56.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 63.43 110.884 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 63.23 111.142 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 mtp . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.809 0.338 . . . . 74.14 110.9 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.08 114.22 8.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 60.35 110.855 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -98.26 66.51 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.875 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 m -83.17 55.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 75.45 111.18 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.41 126.12 5.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.695 -0.764 . . . . 74.34 112.493 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.89 139.67 40.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.792 0.329 . . . . 72.01 110.915 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -90.45 138.31 31.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 73.53 110.831 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.5 t -51.74 146.85 7.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 72.02 110.867 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.793 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -97.37 16.56 19.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 72.44 111.117 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -131.16 -43.51 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 64.34 110.927 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.8 p -113.03 -15.09 12.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 71.05 110.897 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 63.43 66.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.858 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -119.11 116.81 27.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 74.43 110.943 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.13 107.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 64.33 110.958 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -116.89 155.5 28.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 74.21 110.863 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -85.06 -39.37 18.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.884 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 mt -110.51 83.25 3.21 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.597 0.713 . . . . 73.4 110.92 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 129.71 18.13 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.721 2.281 . . . . 64.21 112.364 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -87.12 109.53 19.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 70.12 110.86 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -84.91 123.34 30.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 72.22 110.872 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.4 t -85.85 129.73 34.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 63.13 110.855 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.36 20.78 6.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 72.4 110.835 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -118.45 -47.35 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 71.14 110.904 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 p -107.23 -14.0 15.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 61.52 110.86 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 67.01 60.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 74.53 110.9 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -147.7 150.51 34.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 74.1 110.866 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -97.95 143.16 28.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 75.11 110.881 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.793 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 71.3 m-85 -150.83 141.73 22.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 74.52 110.876 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.6 p -50.03 157.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 74.01 110.901 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.7 p -51.81 -46.22 64.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 44.5 110.847 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -53.98 -27.31 30.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.896 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -115.63 21.37 14.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 72.55 110.868 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -59.47 -35.05 73.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 73.42 110.86 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.9 mt -54.51 169.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.9 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.08 -62.21 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 72.33 110.888 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -54.97 -29.64 57.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 75.54 110.838 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -49.88 -53.37 26.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 62.15 110.844 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -96.39 20.41 10.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 72.02 110.899 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 49.03 56.61 7.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.894 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.8 t -51.96 132.61 32.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 64.23 110.896 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -54.65 -35.78 63.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 53.2 110.871 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 42.3 t90 -57.07 -45.21 83.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 65.34 110.91 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.68 -39.93 86.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.24 110.923 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.6 mt -72.3 -36.06 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 71.24 110.91 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -37.14 74.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 74.5 110.868 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -108.03 74.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 63.42 110.871 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.69 84.28 7.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 61.45 110.875 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -61.79 137.55 58.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 62.13 110.908 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 41.5 111.112 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.3 mtt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.799 0.333 . . . . 75.11 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.73 -165.44 1.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.91 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -109.25 44.2 1.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 61.43 110.865 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.2 m -82.97 55.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 74.05 111.111 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.1 138.82 9.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.795 -0.716 . . . . 41.44 112.509 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.96 136.61 41.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 63.21 110.907 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -89.28 136.14 33.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 72.12 110.825 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.3 t -51.45 144.17 10.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 72.51 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.792 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -95.38 18.66 12.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.23 111.075 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -131.27 -44.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 73.55 110.911 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 p -114.44 -16.11 11.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 65.55 110.896 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 66.05 68.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 75.45 110.845 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -119.74 113.58 20.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 75.5 110.869 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.21 104.94 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 72.43 110.945 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.22 162.37 17.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 54.13 110.9 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -91.67 -38.05 12.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 50.13 110.919 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.65 82.14 2.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 71.15 110.906 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 129.8 18.21 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.672 2.248 . . . . 72.11 112.337 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -84.34 105.93 15.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 54.41 110.846 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -82.23 122.26 27.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.882 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -85.78 129.75 34.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 73.52 110.88 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.03 20.34 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 45.43 110.864 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.55 -47.3 2.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.866 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.3 p -106.95 -14.87 14.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 40.13 110.86 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 67.28 60.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.15 110.882 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -147.54 150.4 34.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 75.43 110.85 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.89 143.78 28.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.876 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.792 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 77.4 m-85 -151.5 140.55 21.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 44.15 110.899 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.3 p -50.04 157.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 74.21 110.907 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.52 -35.83 61.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 64.14 110.88 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.46 -27.48 68.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 51.13 110.856 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -118.14 21.31 12.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.816 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -57.27 -36.91 71.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 73.43 110.873 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.0 mt -52.45 168.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 64.43 110.934 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -62.31 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 75.43 110.873 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -55.0 -29.54 57.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 72.22 110.916 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -49.9 -53.28 27.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 54.3 110.905 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -96.29 20.57 10.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 61.15 110.798 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 49.11 56.8 7.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.43 110.897 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.4 t -52.5 131.03 33.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.89 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -53.27 -35.89 60.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 70.42 110.84 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -56.62 -42.22 78.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 65.54 110.883 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.15 -35.88 82.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.938 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.7 -55.03 8.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.911 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.2 -36.4 77.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 55.35 110.905 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -116.51 82.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 62.1 110.834 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.36 106.07 13.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 44.33 110.868 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -115.71 106.26 13.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 72.44 110.864 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.9 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 64.31 111.109 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.771 0.32 . . . . 63.11 110.849 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.33 -165.49 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 61.13 110.945 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -151.18 96.89 2.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.88 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.5 m -83.36 55.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 60.25 111.123 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -129.65 148.6 18.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 73.03 112.47 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.53 139.02 39.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.789 0.328 . . . . 70.31 110.898 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.444 ' NE2' HD12 ' A' ' 24' ' ' LEU . 11.7 m80 -91.08 138.68 31.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 74.11 110.886 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.5 t -51.44 148.65 4.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 74.45 110.875 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.799 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -99.56 15.66 25.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 54.21 111.122 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -130.95 -40.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 72.1 110.926 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.7 p -116.79 -13.8 10.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.067 -0.515 . . . . 73.03 110.834 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.8 mmm-85 62.25 66.77 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 64.22 110.849 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -119.09 118.21 30.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 61.3 110.913 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.444 HD12 ' NE2' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -64.77 108.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 74.43 110.938 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -118.73 156.2 29.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 54.44 110.904 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -85.97 -39.07 17.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 73.41 110.862 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mt -110.18 83.16 2.92 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.605 0.717 . . . . 65.12 110.941 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 129.77 18.19 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.716 2.277 . . . . 75.33 112.328 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -83.88 108.04 16.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 72.14 110.86 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -83.1 120.93 26.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 54.3 110.845 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.77 129.59 34.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 61.53 110.858 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.96 19.94 7.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 54.51 110.876 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -118.49 -47.36 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 63.43 110.896 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.8 p -106.82 -16.17 14.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 43.01 110.87 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t30 67.48 60.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 64.12 110.846 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -146.82 153.4 40.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 63.42 110.88 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -97.85 141.7 30.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.875 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.799 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 69.2 m-85 -150.42 137.34 19.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 71.35 110.884 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 p -49.89 159.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 61.23 110.9 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -53.18 -36.14 60.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 52.12 110.855 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.35 -28.82 69.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 74.01 110.893 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -117.15 21.27 13.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 75.5 110.844 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -57.47 -38.59 74.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 72.22 110.899 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.2 mt -52.42 165.62 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 64.35 110.915 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -62.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 72.1 110.947 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -56.92 -29.1 62.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 72.04 110.902 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.93 -53.44 26.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.869 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -95.08 21.03 8.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 63.32 110.848 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 50.41 55.86 8.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 72.22 110.871 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.0 t -51.93 125.57 15.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 64.51 110.885 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -53.33 -35.69 60.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 73.03 110.874 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 36.3 t90 -60.46 -39.89 89.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.891 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mt -65.24 -37.34 86.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 62.4 110.902 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.1 mt -71.3 -54.94 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 62.23 110.916 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -59.96 -35.82 75.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.31 110.843 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -131.44 86.01 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 64.33 110.85 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.03 86.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 61.41 110.878 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -58.88 176.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 62.23 110.901 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 64.35 111.136 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.788 0.328 . . . . 74.54 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.06 107.52 11.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 65.21 110.869 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.91 100.58 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 73.13 110.866 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.5 m -83.33 55.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 73.12 111.095 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.97 161.22 21.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 74.44 112.525 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -103.19 134.82 45.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 73.01 110.909 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -89.68 138.68 31.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 74.41 110.861 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 t -51.26 149.0 4.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 74.05 110.862 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.795 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -98.94 16.34 22.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 62.4 111.084 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -130.93 -45.33 1.04 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 63.02 110.972 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.4 p -113.02 -12.53 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 64.12 110.897 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.52 70.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 72.23 110.886 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -119.65 113.68 21.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.44 110.923 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.94 104.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 73.51 110.924 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.04 162.83 16.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 55.15 110.872 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -92.73 -39.35 11.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 72.45 110.896 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.91 83.78 3.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.74 . . . . 72.1 110.866 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 129.92 18.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.281 . . . . 73.34 112.328 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -86.34 106.91 17.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 72.45 110.893 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -79.29 125.57 29.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 75.32 110.9 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.1 t -85.93 132.27 34.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 62.33 110.858 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.03 17.67 9.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 75.02 110.863 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.9 m-30 -116.61 -47.2 2.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 65.45 110.927 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.7 p -107.93 -16.96 14.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.926 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 t30 67.7 60.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 73.22 110.91 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -144.07 160.13 41.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 73.51 110.857 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -97.82 142.0 30.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 64.3 110.872 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.795 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 83.1 m-85 -151.77 136.93 17.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.863 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.5 p -50.44 159.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 45.12 110.864 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.3 p -53.66 -35.75 61.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.876 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.37 -27.14 68.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 71.52 110.916 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -119.21 21.31 12.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 71.34 110.861 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.43 -38.89 78.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 75.55 110.839 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.5 mt -54.24 167.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 41.4 110.933 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -61.95 1.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 75.24 110.932 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.568 ' HG2' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -54.63 -27.08 37.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 73.53 110.917 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -49.87 -53.24 26.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 74.3 110.888 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -97.68 19.37 13.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.865 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 46.49 61.87 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 65.12 110.825 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.8 t -50.83 137.1 21.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 31.41 110.872 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -52.59 -38.84 60.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 74.1 110.916 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 42.5 t90 -56.68 -42.07 78.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 74.45 110.884 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.568 HD13 ' HG2' ' A' ' 46' ' ' GLU . 1.6 mt -63.49 -36.03 82.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.946 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.1 mt -71.05 -54.86 9.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 62.3 110.895 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -61.95 -36.14 80.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 55.43 110.899 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -126.98 88.97 2.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 54.01 110.836 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.41 101.96 11.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 74.2 110.881 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -85.57 161.56 19.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 51.33 110.877 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 54.42 111.076 179.959 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.661 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.8 mtt . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.813 0.34 . . . . 73.42 110.853 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 11' ' ' MET . 9.7 mt -138.44 114.06 9.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 74.4 110.918 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.89 64.19 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 70.01 110.833 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.9 m -82.26 56.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 71.54 111.144 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -128.1 146.64 16.87 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.787 -0.721 . . . . 63.44 112.505 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -102.89 139.69 38.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 75.53 110.875 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.518 ' NE2' HD13 ' A' ' 24' ' ' LEU . 11.3 m80 -91.27 138.06 31.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 62.42 110.844 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.9 t -51.63 148.63 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 62.13 110.875 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.797 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -99.18 15.75 25.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 65.51 111.124 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -131.05 -40.13 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.957 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.7 p -116.25 -14.51 11.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 33.11 110.838 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 62.58 66.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 73.13 110.886 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -119.16 118.24 30.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 61.42 110.917 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.518 HD13 ' NE2' ' A' ' 17' ' ' HIS . 59.0 tp -65.05 107.68 1.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.43 110.942 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.34 156.34 28.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 64.42 110.864 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -85.57 -39.48 17.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 75.5 110.863 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mt -110.09 83.41 3.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.567 0.698 . . . . 71.25 110.921 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 129.99 18.51 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 73.03 112.349 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -87.85 112.17 22.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 74.24 110.859 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -84.05 125.24 31.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 73.1 110.874 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.5 t -85.96 131.67 34.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 62.01 110.829 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.03 18.27 8.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.87 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.9 m-30 -116.53 -47.25 2.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 64.02 110.862 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.4 p -108.07 -17.05 14.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 75.01 110.878 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 67.91 60.38 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 52.04 110.88 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -144.0 160.86 40.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 71.33 110.841 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -97.87 141.64 30.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 62.22 110.842 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.797 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 75.4 m-85 -151.37 135.88 16.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 72.14 110.888 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.7 p -50.41 158.82 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 74.01 110.91 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -34.93 60.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 70.41 110.857 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.99 -27.06 69.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 70.13 110.891 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -120.05 21.48 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 64.14 110.872 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -58.15 -39.8 79.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 71.42 110.868 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -52.75 168.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 41.4 110.896 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -62.21 1.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.94 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.508 ' HG2' HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -54.75 -27.17 39.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 72.13 110.886 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -49.88 -53.28 26.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.477 . . . . 73.23 110.811 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -97.6 19.35 13.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 70.44 110.838 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 46.2 61.96 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 70.31 110.875 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.0 t -50.48 135.62 22.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 62.41 110.912 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 -52.5 -41.76 63.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 74.45 110.864 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 41.8 t90 -57.07 -39.21 74.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 65.23 110.948 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.508 HD13 ' HG2' ' A' ' 46' ' ' GLU . 3.2 mt -64.12 -36.01 82.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 71.13 110.895 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.64 -54.85 9.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 71.44 110.962 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -61.69 -37.34 83.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.814 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -118.92 85.05 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 71.1 110.842 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.4 88.53 6.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 51.23 110.889 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -55.3 174.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 65.14 110.908 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.3 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 53.4 111.133 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.659 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.3 ptp . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.794 0.33 . . . . 64.31 110.869 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.659 HD23 ' O ' ' A' ' 11' ' ' MET . 8.2 mt -138.84 112.81 8.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 73.23 110.901 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -142.42 69.83 1.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.894 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 14' ' ' VAL . 7.4 p -119.81 26.4 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 71.23 111.166 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.8 154.64 26.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 73.21 112.497 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 132.27 53.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.815 0.34 . . . . 72.34 110.875 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -82.82 138.3 34.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 74.32 110.873 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 t -51.68 147.77 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.854 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.797 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -98.77 16.14 23.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 21.33 111.094 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -130.93 -40.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 63.1 110.889 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.0 p -116.06 -15.42 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 72.1 110.856 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.59 65.91 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 74.4 110.87 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -119.21 117.28 28.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.11 110.901 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 tt -64.01 108.51 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 72.42 110.903 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.17 158.01 25.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 73.14 110.855 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -87.42 -38.17 16.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 62.51 110.871 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.94 81.94 2.86 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.615 0.722 . . . . 61.52 110.911 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.74 18.17 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.743 2.295 . . . . 71.13 112.326 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -83.97 111.35 19.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 73.33 110.865 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -86.04 121.06 28.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 73.31 110.872 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.78 130.02 34.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.908 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.17 19.42 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 75.43 110.879 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -118.43 -47.44 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 61.21 110.926 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -106.08 -16.64 14.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 63.2 110.899 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 67.36 60.21 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 74.53 110.864 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -146.91 153.84 40.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.873 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -97.84 141.61 30.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.863 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.797 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 69.4 m-85 -150.36 137.05 19.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 63.34 110.906 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 p -50.0 159.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 71.31 110.9 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.0 t -53.59 -35.09 60.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.23 110.864 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -62.81 -27.85 69.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 65.55 110.917 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -118.99 21.41 12.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.837 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -57.86 -39.3 77.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 72.1 110.883 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.9 mt -51.63 164.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.45 -62.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 52.44 110.87 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -56.48 -29.55 61.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 72.53 110.909 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.96 -53.34 27.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 75.3 110.876 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -95.43 21.15 8.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 71.12 110.884 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 50.95 55.57 9.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.843 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.6 t -51.79 125.44 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.925 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -53.29 -35.71 60.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 51.42 110.877 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 37.8 t90 -59.38 -39.81 84.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 73.52 110.901 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.7 mt -66.3 -35.95 81.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 64.35 110.924 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mt -72.16 -55.03 7.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 74.41 110.906 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.05 -36.1 74.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 71.13 110.89 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -122.68 82.4 1.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 73.42 110.825 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.02 78.35 1.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 74.32 110.874 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.33 145.59 29.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.4 110.894 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.7 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 70.1 111.158 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.801 0.334 . . . . 74.21 110.92 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.81 116.16 8.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 65.21 110.892 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -154.74 95.3 1.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 42.41 110.873 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.6 m -83.43 55.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 73.53 111.109 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.06 138.59 8.64 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 55.51 112.464 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.46 136.99 43.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 63.1 110.867 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -90.3 137.97 31.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 72.22 110.876 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.9 t -51.58 146.34 7.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 60.15 110.917 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.783 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -96.47 17.43 16.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 63.03 111.1 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -131.15 -46.71 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.43 110.891 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.0 p -111.22 -14.83 13.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 73.3 110.868 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 63.98 69.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 72.34 110.878 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -119.69 113.56 20.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 65.05 110.95 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.11 104.96 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 72.41 110.933 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.97 163.39 15.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 62.51 110.85 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -92.27 -39.97 11.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 75.15 110.873 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -109.81 83.64 2.92 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.585 0.707 . . . . 73.33 110.9 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 129.82 18.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 72.14 112.356 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -84.85 105.92 15.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 54.33 110.833 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -80.95 123.8 28.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 73.02 110.86 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.94 130.88 34.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 52.21 110.877 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.83 19.12 7.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 61.34 110.858 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -118.57 -47.29 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.894 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.7 p -106.22 -17.45 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 71.52 110.868 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 67.62 60.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 70.13 110.9 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -145.51 156.12 43.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 73.5 110.889 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.96 141.57 30.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 65.33 110.829 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.783 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 77.9 m-85 -151.73 137.23 17.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 73.22 110.879 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.6 p -49.89 158.1 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 52.33 110.897 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 86.7 p -53.5 -35.46 60.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 72.21 110.881 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -27.35 68.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 73.2 110.871 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -118.46 21.22 12.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 71.15 110.891 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.5 ptt-85 -56.71 -35.99 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 75.32 110.907 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.2 mt -54.86 168.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 73.23 110.917 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.08 -61.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 72.22 110.898 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.475 ' CG ' HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -54.67 -29.37 52.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.896 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -49.93 -53.38 26.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 74.45 110.862 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -96.61 21.1 9.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 70.33 110.835 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 51.05 54.45 11.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 61.15 110.877 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.4 t -52.18 124.31 12.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 63.21 110.901 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -35.69 58.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 74.05 110.873 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 41.6 t90 -56.69 -44.67 81.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 73.03 110.924 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.475 HD13 ' CG ' ' A' ' 46' ' ' GLU . 3.2 mt -62.24 -38.48 89.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.953 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.5 mt -72.54 -37.29 68.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 74.13 110.915 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.12 -36.24 72.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.901 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -99.46 58.34 1.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 73.15 110.859 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -100.8 91.69 4.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 72.52 110.9 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -116.43 41.92 2.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 70.13 110.904 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.7 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 71.44 111.121 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.588 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.2 mmm . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.864 0.364 . . . . 73.12 110.877 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.588 HD23 ' O ' ' A' ' 11' ' ' MET . 10.4 mt -143.32 -166.41 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 61.53 110.923 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.71 101.53 1.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 70.05 110.851 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.5 m -81.44 56.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 52.43 111.104 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -126.11 142.49 13.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 43.14 112.518 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 135.14 42.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 74.12 110.912 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -86.83 136.67 32.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 72.12 110.894 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 t -51.63 150.14 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.01 110.858 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.804 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -99.42 14.46 29.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 71.15 111.051 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -130.82 -40.76 1.18 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 73.14 110.9 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.2 p -114.94 -13.4 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.904 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.31 66.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 72.51 110.896 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -119.38 118.35 30.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 55.42 110.896 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 tt -66.19 105.01 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 72.03 110.916 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -113.35 159.83 19.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 72.21 110.866 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -89.4 -35.45 16.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.35 110.857 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.1 82.02 6.75 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.606 0.717 . . . . 74.21 110.9 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 129.76 18.11 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.263 . . . . 71.11 112.306 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -86.7 105.98 17.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 71.04 110.888 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -81.5 122.12 27.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 64.21 110.847 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 t -85.73 128.41 34.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 51.23 110.919 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.26 21.76 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.844 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -118.44 -47.34 2.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 71.45 110.91 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.1 p -106.23 -15.14 14.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 62.21 110.898 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t30 67.36 60.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 54.3 110.869 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -147.08 153.95 40.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.923 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -97.9 141.74 30.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 74.24 110.893 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.804 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 74.3 m-85 -151.5 137.62 18.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 73.54 110.903 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.5 p -50.28 156.71 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.886 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.2 p -53.28 -35.68 60.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 63.44 110.878 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.8 -28.04 68.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 62.32 110.883 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -117.64 21.26 13.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.2 110.832 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 -56.34 -36.65 69.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 72.35 110.881 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.4 mt -51.99 168.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.97 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -62.18 1.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 70.25 110.897 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -30.2 57.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 71.22 110.91 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -49.82 -53.3 26.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 74.34 110.872 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -97.19 20.3 11.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 74.25 110.869 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 49.06 56.45 7.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 72.22 110.909 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.3 t -51.72 128.53 23.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 61.11 110.86 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.94 -35.87 59.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 73.33 110.882 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 39.1 t90 -60.13 -40.26 89.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 71.21 110.882 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 mt -63.81 -36.09 82.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 62.43 110.94 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mt -72.21 -54.93 8.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 64.21 110.89 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -61.36 -36.1 79.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 71.14 110.882 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -125.36 80.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 74.31 110.829 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.24 87.14 6.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.919 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -52.8 149.65 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 75.3 110.914 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 73.01 111.159 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.756 0.312 . . . . 74.13 110.901 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.12 114.86 8.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.89 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 58.95 91.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 72.31 110.877 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 14' ' ' VAL . 7.5 p -130.64 26.54 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 64.42 111.136 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.66 150.65 9.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 62.53 112.476 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.12 136.06 44.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 64.44 110.887 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.554 ' NE2' HD13 ' A' ' 24' ' ' LEU . 11.8 m80 -87.92 138.84 31.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 73.42 110.831 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.7 t -51.66 148.87 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 61.14 110.855 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.79 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -99.59 15.68 25.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 63.15 111.105 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -131.0 -40.09 1.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 75.21 110.915 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.1 p -116.46 -14.09 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 73.04 110.877 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 62.4 66.61 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 71.14 110.846 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -119.08 118.15 30.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 62.42 110.922 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.554 HD13 ' NE2' ' A' ' 17' ' ' HIS . 52.5 tp -64.76 108.39 1.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 62.31 110.897 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -118.28 156.93 27.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 71.21 110.83 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -86.34 -39.92 15.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.886 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mt -110.06 83.37 2.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.57 0.7 . . . . 73.25 110.948 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 129.75 18.17 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.638 2.226 . . . . 73.4 112.396 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -84.08 107.01 16.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -82.1 121.83 27.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 70.1 110.862 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.87 130.55 34.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 45.34 110.875 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.27 19.32 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 74.05 110.875 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -118.59 -47.45 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 63.14 110.874 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -106.18 -16.76 14.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 72.4 110.894 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.6 t30 67.46 60.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.865 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -146.67 154.55 41.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 54.31 110.854 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -97.88 141.84 30.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 62.24 110.913 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.79 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 72.4 m-85 -150.9 136.7 18.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.886 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 p -49.99 159.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 73.22 110.909 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 p -53.53 -35.36 60.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 71.13 110.865 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -27.91 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 63.52 110.906 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -118.85 21.47 12.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 63.12 110.904 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -58.19 -39.12 78.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 73.12 110.842 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.3 mt -51.75 164.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.934 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HB3' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -71.71 -61.99 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 74.34 110.916 179.834 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -56.94 -29.1 62.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 75.21 110.895 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.9 -53.43 25.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 71.21 110.838 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -95.2 21.21 8.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 63.14 110.888 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 51.34 54.87 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.865 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.7 t -52.21 123.7 11.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 63.33 110.911 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -52.99 -35.55 59.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.847 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 39.5 t90 -59.44 -42.68 92.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 72.31 110.916 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.41 HD12 ' HB3' ' A' ' 45' ' ' LYS . 3.3 mt -63.05 -41.18 99.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 65.52 110.971 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.97 -36.0 69.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 73.52 110.888 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.14 -36.17 72.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.85 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -110.8 61.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 74.34 110.832 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -86.58 96.48 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 73.34 110.899 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -110.22 55.58 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 63.31 110.886 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 65.2 111.149 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.0 ptp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.823 0.344 . . . . 75.25 110.851 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.13 115.18 9.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.943 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -139.76 75.66 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 62.53 110.871 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.9 m -82.41 56.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 75.12 111.105 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -125.84 141.88 13.26 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 64.35 112.515 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -108.25 129.01 55.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.818 0.342 . . . . 75.23 110.89 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.635 ' NE2' HD13 ' A' ' 24' ' ' LEU . 10.5 m80 -81.09 133.32 35.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 63.22 110.88 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.4 t -50.76 136.01 22.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 61.25 110.858 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.71 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -90.55 22.39 3.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 75.24 111.106 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -131.74 -39.08 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 75.11 110.918 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.6 p -129.37 8.82 5.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 75.32 110.885 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? 46.87 73.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.53 110.84 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -120.07 115.65 24.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 64.43 110.928 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.635 HD13 ' NE2' ' A' ' 17' ' ' HIS . 60.1 tp -70.43 104.72 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 71.44 110.923 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.42 164.15 16.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.827 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -92.16 -37.46 12.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.849 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.21 82.94 2.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 73.33 110.928 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 129.64 17.98 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 53.24 112.344 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -78.25 105.87 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 65.41 110.835 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -82.48 117.85 22.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.864 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 t -85.64 129.03 34.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 70.53 110.916 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.36 20.5 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 50.31 110.86 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -118.46 -47.23 2.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 63.12 110.889 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.4 p -107.63 -14.27 14.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 71.42 110.859 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 67.23 59.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 71.54 110.87 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -147.96 148.57 30.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 73.14 110.93 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -97.94 144.26 27.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.851 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.71 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 72.4 m-85 -151.18 144.32 24.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.2 110.869 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.1 p -50.3 155.69 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 62.12 110.836 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.37 -43.43 61.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 64.14 110.837 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -53.55 -29.91 39.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.88 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -112.15 20.97 16.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 71.22 110.83 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -55.39 -34.75 64.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 72.53 110.871 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.4 mt -55.73 168.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 52.54 110.921 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -62.3 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 71.34 110.871 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -54.85 -29.48 55.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.862 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -49.86 -53.31 26.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 73.41 110.849 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -95.94 20.41 10.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 72.43 110.834 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 49.01 57.21 6.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 72.32 110.811 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.1 t -51.62 130.74 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 75.04 110.885 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.9 -45.88 67.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 72.22 110.852 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -53.03 -38.33 62.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 73.43 110.92 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.5 mt -64.95 -36.89 85.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 70.33 110.944 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.6 mt -72.3 -55.06 7.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 50.14 110.924 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.5 -36.02 79.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.912 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -123.02 83.6 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 73.31 110.849 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -75.59 88.28 2.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 74.2 110.882 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -58.32 129.5 42.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 72.43 110.874 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 72.12 111.135 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.5 mtp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.811 0.339 . . . . 73.25 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.8 119.09 7.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 65.21 110.9 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.17 82.2 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.854 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.2 m -82.86 55.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 72.11 111.151 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.39 139.9 10.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 53.32 112.522 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.94 131.25 43.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 72.43 110.863 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -85.65 137.24 32.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 73.21 110.879 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -51.19 151.15 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 52.24 110.854 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.803 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . . . -98.9 14.73 27.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 75.34 111.1 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -130.71 -48.19 1.05 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 74.35 110.912 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -110.7 -7.53 14.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 73.41 110.879 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 54.9 70.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 65.12 110.881 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -119.56 113.53 20.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.15 110.889 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.92 104.85 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 75.35 110.94 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.72 157.7 22.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 65.02 110.875 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -90.2 -35.29 15.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 65.35 110.919 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.87 82.61 6.85 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.65 0.738 . . . . 62.24 110.893 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 129.66 18.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.71 2.273 . . . . 73.13 112.358 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -85.37 105.93 16.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 74.03 110.89 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -78.29 122.38 25.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 72.45 110.859 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.5 t -85.76 130.33 34.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 73.53 110.93 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.03 21.76 5.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 61.32 110.866 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -118.34 -47.25 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 75.3 110.886 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 p -109.36 -14.85 14.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 73.14 110.887 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.8 t30 67.55 60.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 70.43 110.885 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -145.36 157.42 44.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 70.34 110.929 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -97.87 142.63 29.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 70.01 110.89 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.803 ' CE1' ' HB3' ' A' ' 19' ' ' ALA . 84.8 m-85 -151.85 137.89 18.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 75.23 110.898 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.6 p -50.46 159.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 73.32 110.908 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.5 p -51.88 -46.34 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 71.14 110.834 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -55.32 -26.37 40.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 53.41 110.914 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -115.76 21.23 14.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.866 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -61.38 -35.57 77.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.51 110.881 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.8 mt -54.71 166.78 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 73.12 110.91 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -62.43 1.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 73.01 110.906 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -57.51 -27.92 62.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.895 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -49.82 -53.51 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 64.05 110.854 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -95.18 20.05 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 61.11 110.892 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 47.75 59.07 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 55.24 110.883 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.0 t -54.6 129.14 35.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 62.44 110.873 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -35.51 60.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 64.34 110.843 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 34.5 t90 -61.12 -39.21 89.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 74.04 110.944 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.5 mt -64.66 -36.22 83.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 62.13 110.882 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.96 -54.98 8.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 65.32 110.959 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -60.32 -36.18 77.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 73.33 110.881 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -120.6 82.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 73.5 110.881 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.55 91.05 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 71.41 110.809 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -72.72 -178.81 2.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.827 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.6 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 75.31 111.108 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_