data_2mz3_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 2mz3 _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 ' 2' ' ' SER . . . . . . . . . . . . . 59.1 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.892 0.377 . . . . 70.11 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -83.29 -30.41 27.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 72.15 110.918 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -20.76 61.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.869 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.86 -21.36 56.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 75.04 110.942 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -73.87 -21.98 59.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.5 110.884 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -74.54 -20.33 60.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 72.24 110.902 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.11 -25.21 64.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 73.14 111.079 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -64.1 -26.36 68.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 75.34 110.86 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -70.17 -30.38 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.22 110.884 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.0 t -56.16 -26.86 52.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 60.31 110.893 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.73 -26.07 59.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 72.34 110.889 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -76.49 162.47 70.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.654 0.74 . . . . 75.11 110.886 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 73.22 112.33 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.926 0.393 . . . . 72.13 110.836 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.07 -30.63 27.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 75.31 110.91 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.35 -20.7 50.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 74.34 110.876 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tp -58.86 -21.42 56.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 72.24 110.884 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -22.05 59.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.887 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -74.62 -20.38 59.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 55.21 110.854 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.28 -25.32 65.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 74.51 111.123 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.95 -31.6 60.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.871 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -32.69 67.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 72.54 110.904 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 p -64.1 -26.66 68.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 74.32 110.833 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -25.95 59.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 70.52 110.913 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -70.09 162.53 68.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.688 0.756 . . . . 73.23 110.877 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 62.44 112.346 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.931 0.396 . . . . 72.53 110.886 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -82.56 -29.68 30.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 74.04 110.911 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.75 -20.73 60.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 65.43 110.848 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -21.43 56.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 75.04 110.901 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -21.95 59.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.891 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -74.87 -20.37 59.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 65.53 110.89 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.71 -25.21 64.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 70.34 111.102 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -31.82 61.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.902 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 mmt85 -75.01 -32.38 61.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 74.15 110.843 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -27.19 68.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 75.05 110.892 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -26.13 59.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 72.14 110.914 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.79 162.53 72.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.688 0.756 . . . . 74.45 110.868 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.249 . . . . 71.31 112.376 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.912 0.387 . . . . 73.51 110.847 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.04 -26.68 56.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 73.44 110.904 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -20.59 60.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 73.54 110.874 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -21.45 56.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 74.01 110.931 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -22.04 59.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 71.24 110.867 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -74.91 -20.31 59.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.85 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.83 -25.15 64.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.114 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -55.12 -29.32 57.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 75.4 110.831 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -72.67 -30.75 64.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.861 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -26.47 65.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 64.31 110.842 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.0 ttm -73.41 -26.1 60.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 75.15 110.908 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.0 162.51 68.22 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.645 0.736 . . . . 62.32 110.906 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 74.42 112.349 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.918 0.39 . . . . 75.13 110.888 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -27.84 60.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 75.43 110.92 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.47 -20.73 43.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 73.34 110.892 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tp -58.8 -21.49 56.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 72.45 110.884 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -73.79 -22.0 59.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 73.43 110.898 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.95 -20.32 59.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 75.14 110.885 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.17 -25.23 65.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 51.43 111.106 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.15 -27.52 69.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.15 110.917 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -72.35 -32.64 66.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 74.24 110.815 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.04 -26.93 67.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 62.23 110.847 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -25.94 59.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.892 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -70.05 162.56 68.06 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.641 0.734 . . . . 73.03 110.871 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.273 . . . . 75.02 112.336 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.959 0.409 . . . . 73.5 110.871 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -32.78 44.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 73.52 110.935 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -20.7 59.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 75.1 110.855 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.87 -21.41 57.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 73.54 110.862 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -22.04 59.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 71.12 110.87 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -74.37 -20.27 60.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 74.55 110.808 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.16 -25.16 64.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 63.14 111.098 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -54.96 -32.07 61.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.41 110.889 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.4 -29.59 70.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 74.42 110.811 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -26.47 68.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 65.15 110.847 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.2 ttt -73.9 -25.87 60.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 74.34 110.835 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -70.0 162.5 68.26 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.634 0.731 . . . . 73.42 110.841 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 C--N 1.341 0.161 0 C-N-CA 122.744 2.296 . . . . 75.42 112.325 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.96 0.41 . . . . 74.52 110.842 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.93 -31.14 67.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 73.51 110.886 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -20.76 62.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 73.31 110.879 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.81 -21.42 56.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.913 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -73.78 -22.07 59.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 71.12 110.884 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -74.96 -20.39 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 63.02 110.846 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.86 -25.07 64.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 75.45 111.149 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -28.0 69.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.856 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -31.63 68.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 74.51 110.849 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -27.34 68.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.882 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.8 mtt -74.99 -25.71 59.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 74.32 110.915 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.99 162.53 68.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.731 . . . . 74.4 110.92 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.281 . . . . 72.31 112.335 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.923 0.392 . . . . 62.43 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -31.83 61.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 72.2 110.888 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.98 -20.73 60.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 65.23 110.863 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -21.42 56.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 70.24 110.95 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.8 -22.02 59.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 73.21 110.895 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -74.52 -20.33 60.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 71.11 110.835 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.2 -25.14 64.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 72.44 111.134 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -55.0 -32.03 61.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 73.3 110.87 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -65.37 -29.69 70.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.53 110.884 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -26.66 67.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 52.13 110.831 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -25.79 59.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 75.35 110.917 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -69.99 162.45 68.58 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.693 0.759 . . . . 73.5 110.882 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.693 2.262 . . . . 74.41 112.378 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.0 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.952 0.406 . . . . 73.31 110.884 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -73.62 -31.86 63.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.885 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.41 -20.67 47.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 73.42 110.858 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 tp -58.87 -21.39 57.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.923 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.3 ttt-85 -73.85 -22.0 59.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.928 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -75.02 -20.31 59.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 73.5 110.88 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.73 -25.32 64.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 74.22 111.131 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.24 -28.82 67.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 73.2 110.912 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 mtm-85 -69.01 -28.68 66.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.91 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.0 t -64.55 -27.59 69.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 65.32 110.877 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.8 ttt -75.02 -25.6 58.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 74.53 110.847 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.03 162.48 68.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.682 0.753 . . . . 73.05 110.9 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 C--N 1.342 0.212 0 C-N-CA 122.713 2.275 . . . . 74.24 112.324 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.911 0.386 . . . . 62.51 110.852 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -27.46 60.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 74.41 110.878 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -20.75 59.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 75.42 110.855 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.2 mt -58.78 -21.45 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 74.55 110.939 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -22.03 59.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 75.15 110.889 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -74.8 -20.33 59.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.847 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.24 -25.54 65.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 64.3 111.086 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -27.49 67.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 75.52 110.908 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -67.11 -27.44 67.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 73.04 110.883 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.4 t -63.87 -28.01 69.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 71.41 110.862 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.5 ttt -74.97 -25.48 58.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.52 110.89 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -70.03 162.48 68.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.701 0.762 . . . . 75.44 110.859 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 73.45 112.38 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.929 0.395 . . . . 73.4 110.883 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -28.18 60.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 73.02 110.928 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -20.74 59.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.5 110.865 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.82 -21.39 56.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.936 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -73.87 -21.99 59.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 74.15 110.863 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -74.67 -20.42 59.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 74.01 110.872 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.82 -25.95 65.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 65.41 111.089 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.94 -30.66 62.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 71.25 110.863 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -64.97 -27.9 69.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 73.35 110.894 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.9 t -73.61 -26.59 60.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 63.32 110.832 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -74.89 -25.64 59.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 75.15 110.864 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -69.94 162.45 68.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.677 0.751 . . . . 60.51 110.867 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 61.03 112.346 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.918 0.389 . . . . 71.24 110.845 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -70.34 -26.73 63.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 74.24 110.879 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.38 -20.78 54.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 71.55 110.864 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -21.5 56.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.902 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.76 -22.04 59.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.873 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -72.06 -20.39 61.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.868 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.38 -24.85 63.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 65.22 111.11 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -31.93 62.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.896 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.29 -26.33 67.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 73.23 110.892 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.6 t -73.66 -26.44 60.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 75.43 110.878 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.1 ttt -75.03 -25.63 58.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 74.52 110.86 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.03 162.46 68.66 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.666 0.746 . . . . 74.21 110.854 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 71.4 112.329 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.901 0.382 . . . . 73.12 110.839 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -27.28 64.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.901 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.03 -20.79 63.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.865 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 mt -58.89 -21.4 57.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 72.14 110.876 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -21.98 59.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.55 110.91 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -73.71 -20.4 60.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.01 110.858 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.44 -25.0 63.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 74.11 111.146 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -55.09 -32.03 61.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 75.14 110.922 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.7 -30.66 70.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 72.12 110.929 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.3 t -63.2 -26.46 68.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.823 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -25.54 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 75.33 110.845 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -70.02 162.53 68.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.693 0.759 . . . . 74.32 110.846 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 74.12 112.333 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.949 0.404 . . . . 71.22 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -70.18 -32.37 70.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.944 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.76 -20.69 62.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.854 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tt -58.9 -21.36 57.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 73.35 110.926 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -22.0 59.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 72.02 110.872 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -74.58 -20.4 59.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 75.31 110.872 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.04 -25.2 64.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 72.23 111.119 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -59.31 -29.4 67.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 63.13 110.894 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -67.15 -30.02 69.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 75.1 110.862 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -26.44 68.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 75.12 110.883 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.3 ttt -74.89 -25.54 59.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 72.33 110.907 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -69.97 162.49 68.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 73.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--N 1.341 0.156 0 C-N-CA 122.731 2.287 . . . . 73.34 112.345 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.894 0.378 . . . . 71.52 110.854 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -71.04 -30.22 66.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 75.51 110.832 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.48 -20.77 53.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 72.32 110.875 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tp -58.89 -21.4 57.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 73.41 110.874 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -22.0 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 63.43 110.919 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -74.91 -20.33 59.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.858 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.95 -25.24 66.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.04 111.134 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -55.34 -30.72 60.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 72.11 110.874 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -73.8 -26.46 60.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 71.02 110.86 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 t -69.92 -26.35 64.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.32 110.847 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 mtt -69.01 -25.37 64.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.887 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.95 162.51 68.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 74.55 110.918 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 63.15 112.367 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.909 0.385 . . . . 74.24 110.838 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.3 -32.82 70.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.894 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.46 -20.77 43.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 70.4 110.865 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tp -58.83 -21.4 56.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.893 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.78 -22.1 59.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 74.01 110.852 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -74.38 -20.36 60.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 64.41 110.905 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.08 -25.14 64.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 61.02 111.115 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -60.32 -28.72 68.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 71.35 110.868 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -70.63 -32.03 69.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.03 110.907 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.4 t -63.05 -26.31 68.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.844 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -25.46 59.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 75.05 110.871 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -69.98 162.46 68.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.673 0.749 . . . . 75.2 110.894 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 70.51 112.355 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.0 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.971 0.415 . . . . 74.31 110.848 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.08 -29.2 63.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 65.41 110.88 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -20.78 61.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.832 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.82 -21.36 56.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 75.05 110.939 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.93 -21.99 59.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.13 110.838 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -74.38 -20.39 60.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 73.35 110.873 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.49 -24.97 63.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 54.41 111.114 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -31.21 63.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.845 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.96 -32.52 70.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 72.43 110.853 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -62.39 -26.43 68.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 70.31 110.849 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.7 mtt -74.93 -25.18 58.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 75.31 110.914 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.02 162.45 68.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.702 0.763 . . . . 75.12 110.88 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.238 . . . . 62.3 112.342 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.925 0.393 . . . . 73.14 110.807 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -29.93 63.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 65.43 110.916 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.2 -20.81 57.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 62.51 110.902 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.88 -21.33 57.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 64.54 110.932 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -21.98 59.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 75.24 110.87 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -74.51 -20.47 59.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.848 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.99 -25.12 66.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 73.03 111.098 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -58.74 -27.94 65.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.11 110.897 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.15 -27.8 66.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 65.2 110.898 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.27 -26.27 61.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 75.42 110.872 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -25.26 61.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 74.22 110.933 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -69.98 162.48 68.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.683 0.754 . . . . 75.33 110.868 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.265 . . . . 74.14 112.363 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.964 0.412 . . . . 70.4 110.84 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.34 -27.75 52.87 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.132 -0.486 . . . . 74.41 110.895 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.1 -20.74 63.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 72.03 110.817 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -21.45 56.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 73.14 110.891 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -73.82 -22.01 59.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.884 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -74.69 -20.28 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 73.15 110.879 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.02 -25.29 65.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 61.33 111.091 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -55.11 -31.81 61.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 61.44 110.895 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -61.39 -26.13 67.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 74.51 110.846 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.2 t -68.7 -26.9 65.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 70.04 110.829 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.3 mmt -71.72 -25.22 61.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 72.44 110.837 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -69.95 162.52 67.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 72.41 110.911 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 61.22 112.361 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.985 0.422 . . . . 72.42 110.87 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -32.3 62.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.901 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.17 -20.71 60.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 65.41 110.887 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -21.5 55.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.886 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -73.76 -22.02 60.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.882 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -73.21 -20.2 60.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.86 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.48 -23.1 60.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 75.44 111.095 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -54.94 -32.86 61.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 75.12 110.871 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -32.47 73.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.51 110.888 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 t -73.04 -26.74 61.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 75.52 110.836 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -25.95 61.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.855 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -70.02 162.51 68.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.668 0.746 . . . . 75.25 110.898 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.735 2.29 . . . . 74.53 112.375 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.83 0.348 . . . . 74.54 110.855 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.1 m -71.28 -26.71 63.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 70.11 110.865 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -83.29 -30.41 27.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 72.15 110.918 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -20.76 61.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.869 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.86 -21.36 56.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 75.04 110.942 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -73.87 -21.98 59.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.5 110.884 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -74.54 -20.33 60.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 72.24 110.902 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.11 -25.21 64.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 73.14 111.079 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -64.1 -26.36 68.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 75.34 110.86 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -70.17 -30.38 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.22 110.884 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.0 t -56.16 -26.86 52.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 60.31 110.893 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.73 -26.07 59.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 72.34 110.889 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -76.49 162.47 70.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.654 0.74 . . . . 75.11 110.886 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -74.33 -17.63 21.22 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 73.22 112.33 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.6 t -86.91 -26.69 23.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.535 -1.211 . . . . 71.33 110.863 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 71.4 110.864 -179.933 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.846 0.355 . . . . 74.53 110.828 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 p -84.58 -27.67 27.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 72.13 110.836 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.07 -30.63 27.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 75.31 110.91 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.35 -20.7 50.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 74.34 110.876 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tp -58.86 -21.42 56.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 72.24 110.884 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -22.05 59.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.887 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -74.62 -20.38 59.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 55.21 110.854 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.28 -25.32 65.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 74.51 111.123 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.95 -31.6 60.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.871 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -32.69 67.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 72.54 110.904 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 p -64.1 -26.66 68.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 74.32 110.833 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -25.95 59.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 70.52 110.913 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -70.09 162.53 68.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.688 0.756 . . . . 73.23 110.877 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -74.52 -17.16 21.09 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 62.44 112.346 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.2 m -89.87 -26.5 20.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.577 -1.192 . . . . 73.42 110.873 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 70.01 110.921 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.833 0.349 . . . . 75.24 110.843 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.85 -29.59 62.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 72.53 110.886 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -82.56 -29.68 30.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 74.04 110.911 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.75 -20.73 60.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 65.43 110.848 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -21.43 56.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 75.04 110.901 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -21.95 59.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.891 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -74.87 -20.37 59.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 65.53 110.89 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.71 -25.21 64.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 70.34 111.102 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -31.82 61.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.902 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 mmt85 -75.01 -32.38 61.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 74.15 110.843 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -27.19 68.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 75.05 110.892 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -26.13 59.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 72.14 110.914 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.79 162.53 72.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.688 0.756 . . . . 74.45 110.868 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -74.56 -17.34 20.82 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.249 . . . . 71.31 112.376 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -89.2 -26.52 21.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.598 -1.183 . . . . 71.13 110.889 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 74.42 110.918 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.832 0.348 . . . . 71.42 110.855 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.35 -27.35 47.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 73.51 110.847 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.04 -26.68 56.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 73.44 110.904 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -20.59 60.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 73.54 110.874 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -21.45 56.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 74.01 110.931 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -22.04 59.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 71.24 110.867 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -74.91 -20.31 59.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.85 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.83 -25.15 64.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.114 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -55.12 -29.32 57.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 75.4 110.831 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -72.67 -30.75 64.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.861 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -26.47 65.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 64.31 110.842 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.0 ttm -73.41 -26.1 60.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 75.15 110.908 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.0 162.51 68.22 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.645 0.736 . . . . 62.32 110.906 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -74.74 -18.15 19.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 74.42 112.349 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.5 t -87.32 -26.49 23.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.533 -1.212 . . . . 65.41 110.81 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.857 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.813 0.339 . . . . 75.42 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.95 -27.59 30.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 75.13 110.888 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -27.84 60.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 75.43 110.92 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.47 -20.73 43.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 73.34 110.892 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tp -58.8 -21.49 56.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 72.45 110.884 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -73.79 -22.0 59.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 73.43 110.898 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.95 -20.32 59.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 75.14 110.885 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.17 -25.23 65.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 51.43 111.106 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.15 -27.52 69.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.15 110.917 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -72.35 -32.64 66.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 74.24 110.815 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.04 -26.93 67.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 62.23 110.847 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -25.94 59.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.892 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -70.05 162.56 68.06 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.641 0.734 . . . . 73.03 110.871 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -75.0 -17.28 19.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.273 . . . . 75.02 112.336 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.4 m -86.81 -26.78 23.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.578 -1.192 . . . . 74.41 110.814 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 71.45 110.88 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.809 0.338 . . . . 73.54 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -81.46 -31.37 33.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 73.5 110.871 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -32.78 44.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 73.52 110.935 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -20.7 59.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 75.1 110.855 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.87 -21.41 57.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 73.54 110.862 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -22.04 59.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 71.12 110.87 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -74.37 -20.27 60.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 74.55 110.808 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.16 -25.16 64.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 63.14 111.098 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -54.96 -32.07 61.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.41 110.889 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.4 -29.59 70.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 74.42 110.811 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -26.47 68.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 65.15 110.847 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.2 ttt -73.9 -25.87 60.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 74.34 110.835 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -70.0 162.5 68.26 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.634 0.731 . . . . 73.42 110.841 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -74.82 -16.92 20.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.744 2.296 . . . . 75.42 112.325 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -89.84 -27.41 19.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.524 -1.217 . . . . 74.42 110.819 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 62.43 110.921 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.799 0.333 . . . . 74.33 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.69 -28.27 64.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 74.52 110.842 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.93 -31.14 67.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 73.51 110.886 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -20.76 62.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 73.31 110.879 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.81 -21.42 56.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.913 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -73.78 -22.07 59.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 71.12 110.884 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -74.96 -20.39 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 63.02 110.846 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.86 -25.07 64.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 75.45 111.149 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -28.0 69.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.856 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -31.63 68.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 74.51 110.849 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -27.34 68.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.882 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.8 mtt -74.99 -25.71 59.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 74.32 110.915 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.99 162.53 68.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.731 . . . . 74.4 110.92 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -75.99 -16.97 17.79 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.281 . . . . 72.31 112.335 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -77.94 -26.68 49.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.508 -1.224 . . . . 74.34 110.865 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 74.1 110.898 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.831 0.348 . . . . 74.22 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 p -76.82 -26.53 54.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 62.43 110.89 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -31.83 61.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 72.2 110.888 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.98 -20.73 60.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 65.23 110.863 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -21.42 56.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 70.24 110.95 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.8 -22.02 59.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 73.21 110.895 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -74.52 -20.33 60.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 71.11 110.835 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.2 -25.14 64.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 72.44 111.134 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -55.0 -32.03 61.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 73.3 110.87 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -65.37 -29.69 70.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.53 110.884 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -26.66 67.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 52.13 110.831 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -25.79 59.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 75.35 110.917 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -69.99 162.45 68.58 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.693 0.759 . . . . 73.5 110.882 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -76.18 -16.84 17.45 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.693 2.262 . . . . 74.41 112.378 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.7 t -75.95 -26.71 57.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.531 -1.213 . . . . 74.13 110.861 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 71.13 110.882 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.831 0.348 . . . . 71.41 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.0 p -89.4 -27.86 20.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 73.31 110.884 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -73.62 -31.86 63.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.885 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.41 -20.67 47.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 73.42 110.858 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 tp -58.87 -21.39 57.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.923 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.3 ttt-85 -73.85 -22.0 59.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.928 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -75.02 -20.31 59.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 73.5 110.88 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.73 -25.32 64.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 74.22 111.131 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.24 -28.82 67.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 73.2 110.912 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 mtm-85 -69.01 -28.68 66.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.91 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.0 t -64.55 -27.59 69.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 65.32 110.877 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.8 ttt -75.02 -25.6 58.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 74.53 110.847 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.03 162.48 68.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.682 0.753 . . . . 73.05 110.9 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -76.1 -16.37 17.89 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.713 2.275 . . . . 74.24 112.324 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.4 t -75.17 -30.44 60.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.56 -1.2 . . . . 70.15 110.895 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 75.4 110.889 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.754 0.311 . . . . 64.33 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.2 -27.05 30.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 62.51 110.852 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -27.46 60.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 74.41 110.878 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -20.75 59.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 75.42 110.855 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.2 mt -58.78 -21.45 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 74.55 110.939 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -22.03 59.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 75.15 110.889 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -74.8 -20.33 59.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.847 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.24 -25.54 65.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 64.3 111.086 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -27.49 67.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 75.52 110.908 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -67.11 -27.44 67.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 73.04 110.883 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.4 t -63.87 -28.01 69.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 71.41 110.862 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.5 ttt -74.97 -25.48 58.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.52 110.89 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -70.03 162.48 68.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.701 0.762 . . . . 75.44 110.859 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -76.32 -16.58 17.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 73.45 112.38 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.6 t -70.29 -26.78 63.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.557 -1.202 . . . . 72.24 110.884 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.35 110.941 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.0 ptt-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.827 0.346 . . . . 72.34 110.863 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 t -71.19 -28.03 63.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 73.4 110.883 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -28.18 60.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 73.02 110.928 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -20.74 59.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.5 110.865 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.82 -21.39 56.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.936 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -73.87 -21.99 59.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 74.15 110.863 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -74.67 -20.42 59.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 74.01 110.872 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.82 -25.95 65.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 65.41 111.089 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.94 -30.66 62.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 71.25 110.863 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -64.97 -27.9 69.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 73.35 110.894 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.9 t -73.61 -26.59 60.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 63.32 110.832 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -74.89 -25.64 59.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 75.15 110.864 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -69.94 162.45 68.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.677 0.751 . . . . 60.51 110.867 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -76.31 -16.24 17.5 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 61.03 112.346 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.6 p -73.29 -26.82 61.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.539 -1.209 . . . . 65.23 110.829 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 73.24 110.869 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.835 0.35 . . . . 74.32 110.852 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.32 -26.93 62.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.845 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -70.34 -26.73 63.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 74.24 110.879 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.38 -20.78 54.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 71.55 110.864 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -21.5 56.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.902 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.76 -22.04 59.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.873 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -72.06 -20.39 61.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.868 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.38 -24.85 63.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 65.22 111.11 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -31.93 62.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.896 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.29 -26.33 67.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 73.23 110.892 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.6 t -73.66 -26.44 60.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 75.43 110.878 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.1 ttt -75.03 -25.63 58.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 74.52 110.86 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.03 162.46 68.66 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.666 0.746 . . . . 74.21 110.854 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -76.45 -16.29 17.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 71.4 112.329 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.39 -32.54 70.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.499 -1.228 . . . . 74.13 110.877 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 72.14 110.907 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.851 0.358 . . . . 73.41 110.906 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.24 -26.62 60.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 73.12 110.839 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -27.28 64.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.901 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.03 -20.79 63.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.865 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 mt -58.89 -21.4 57.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 72.14 110.876 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -21.98 59.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.55 110.91 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -73.71 -20.4 60.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.01 110.858 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.44 -25.0 63.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 74.11 111.146 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -55.09 -32.03 61.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 75.14 110.922 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.7 -30.66 70.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 72.12 110.929 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.3 t -63.2 -26.46 68.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.823 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -25.54 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 75.33 110.845 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -70.02 162.53 68.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.693 0.759 . . . . 74.32 110.846 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -76.19 -15.88 17.96 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 74.12 112.333 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 p -73.85 -26.42 60.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.523 -1.217 . . . . 53.25 110.824 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 61.3 110.93 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.811 0.338 . . . . 74.14 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -84.98 -26.95 26.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 71.22 110.86 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -70.18 -32.37 70.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.944 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.76 -20.69 62.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.854 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tt -58.9 -21.36 57.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 73.35 110.926 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -22.0 59.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 72.02 110.872 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -74.58 -20.4 59.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 75.31 110.872 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.04 -25.2 64.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 72.23 111.119 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -59.31 -29.4 67.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 63.13 110.894 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -67.15 -30.02 69.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 75.1 110.862 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -26.44 68.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 75.12 110.883 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.3 ttt -74.89 -25.54 59.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 72.33 110.907 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -69.97 162.49 68.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 73.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -76.22 -15.9 17.88 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.731 2.287 . . . . 73.34 112.345 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.27 -29.28 62.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.566 -1.197 . . . . 71.13 110.841 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.886 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.821 0.343 . . . . 72.43 110.87 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -82.35 -31.87 29.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 71.52 110.854 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -71.04 -30.22 66.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 75.51 110.832 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.48 -20.77 53.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 72.32 110.875 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tp -58.89 -21.4 57.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 73.41 110.874 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -22.0 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 63.43 110.919 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -74.91 -20.33 59.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.858 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.95 -25.24 66.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.04 111.134 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -55.34 -30.72 60.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 72.11 110.874 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -73.8 -26.46 60.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 71.02 110.86 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 t -69.92 -26.35 64.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.32 110.847 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 mtt -69.01 -25.37 64.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.887 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.95 162.51 68.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 74.55 110.918 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -76.42 -15.87 17.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 63.15 112.367 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.24 -29.79 21.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.528 -1.215 . . . . 72.15 110.882 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 75.24 110.879 -179.932 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 73.6 mtm180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.825 0.345 . . . . 72.3 110.885 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p -79.39 -26.55 41.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.838 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.3 -32.82 70.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.894 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.46 -20.77 43.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 70.4 110.865 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tp -58.83 -21.4 56.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.893 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.78 -22.1 59.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 74.01 110.852 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -74.38 -20.36 60.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 64.41 110.905 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.08 -25.14 64.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 61.02 111.115 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -60.32 -28.72 68.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 71.35 110.868 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -70.63 -32.03 69.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.03 110.907 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.4 t -63.05 -26.31 68.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.844 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -25.46 59.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 75.05 110.871 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -69.98 162.46 68.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.673 0.749 . . . . 75.2 110.894 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -76.3 -15.68 17.83 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 70.51 112.355 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.5 p -70.61 -30.55 67.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.548 -1.206 . . . . 74.55 110.825 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 65.43 110.901 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.826 0.346 . . . . 72.33 110.894 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.0 p -88.1 -26.58 22.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.848 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.08 -29.2 63.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 65.41 110.88 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -20.78 61.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.832 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.82 -21.36 56.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 75.05 110.939 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.93 -21.99 59.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.13 110.838 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -74.38 -20.39 60.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 73.35 110.873 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.49 -24.97 63.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 54.41 111.114 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -31.21 63.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.845 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.96 -32.52 70.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 72.43 110.853 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -62.39 -26.43 68.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 70.31 110.849 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.7 mtt -74.93 -25.18 58.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 75.31 110.914 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.02 162.45 68.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.702 0.763 . . . . 75.12 110.88 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -76.09 -15.47 18.4 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.238 . . . . 62.3 112.342 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.19 -29.9 66.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.581 -1.191 . . . . 75.22 110.889 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 73.21 110.886 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.809 0.338 . . . . 74.34 110.867 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -83.41 -26.97 29.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.807 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -29.93 63.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 65.43 110.916 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.2 -20.81 57.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 62.51 110.902 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.88 -21.33 57.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 64.54 110.932 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -21.98 59.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 75.24 110.87 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -74.51 -20.47 59.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.848 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.99 -25.12 66.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 73.03 111.098 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -58.74 -27.94 65.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.11 110.897 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.15 -27.8 66.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 65.2 110.898 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.27 -26.27 61.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 75.42 110.872 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -25.26 61.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 74.22 110.933 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -69.98 162.48 68.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.683 0.754 . . . . 75.33 110.868 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -76.91 -16.04 16.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.265 . . . . 74.14 112.363 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.13 -32.24 70.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.549 -1.205 . . . . 74.43 110.855 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 72.21 110.923 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.818 0.342 . . . . 74.34 110.89 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.47 -26.64 30.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 70.4 110.84 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.34 -27.75 52.87 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.132 -0.486 . . . . 74.41 110.895 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.1 -20.74 63.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 72.03 110.817 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -21.45 56.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 73.14 110.891 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -73.82 -22.01 59.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.884 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -74.69 -20.28 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 73.15 110.879 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.02 -25.29 65.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 61.33 111.091 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -55.11 -31.81 61.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 61.44 110.895 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -61.39 -26.13 67.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 74.51 110.846 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.2 t -68.7 -26.9 65.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 70.04 110.829 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.3 mmt -71.72 -25.22 61.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 72.44 110.837 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -69.95 162.52 67.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 72.41 110.911 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -76.85 -14.99 17.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 61.22 112.361 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.59 -32.82 62.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.556 -1.202 . . . . 72.02 110.852 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 74.24 110.875 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.804 0.335 . . . . 73.43 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.2 -32.51 21.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.87 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -32.3 62.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.901 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.17 -20.71 60.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 65.41 110.887 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -21.5 55.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.886 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -73.76 -22.02 60.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.882 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -73.21 -20.2 60.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.86 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.48 -23.1 60.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 75.44 111.095 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -54.94 -32.86 61.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 75.12 110.871 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -32.47 73.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.51 110.888 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 t -73.04 -26.74 61.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 75.52 110.836 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -25.95 61.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.855 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -70.02 162.51 68.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.668 0.746 . . . . 75.25 110.898 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -75.89 -17.12 17.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.735 2.29 . . . . 74.53 112.375 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 t -84.75 -26.54 27.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.547 -1.206 . . . . 73.11 110.842 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 74.23 110.91 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.1 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.892 0.377 . . . . 65.43 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -83.29 -30.41 27.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 51.34 110.918 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -20.76 61.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.869 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.86 -21.36 56.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 62.32 110.942 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -73.87 -21.98 59.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 70.1 110.884 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -74.54 -20.33 60.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 72.24 110.902 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.11 -25.21 64.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 61.12 111.079 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -64.1 -26.36 68.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 75.34 110.86 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -70.17 -30.38 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 63.04 110.884 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.0 t -56.16 -26.86 52.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 60.31 110.893 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.73 -26.07 59.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 72.34 110.889 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -76.49 162.47 70.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.654 0.74 . . . . 75.11 110.886 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 73.22 112.33 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.926 0.393 . . . . 71.1 110.836 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.07 -30.63 27.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 75.31 110.91 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.35 -20.7 50.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 74.34 110.876 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tp -58.86 -21.42 56.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 63.23 110.884 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -22.05 59.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 63.02 110.887 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -74.62 -20.38 59.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 55.21 110.854 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.28 -25.32 65.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 52.04 111.123 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.95 -31.6 60.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.871 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -32.69 67.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 72.54 110.904 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 p -64.1 -26.66 68.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 71.21 110.833 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -25.95 59.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 70.52 110.913 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -70.09 162.53 68.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.688 0.756 . . . . 73.23 110.877 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 62.44 112.346 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.931 0.396 . . . . 60.01 110.886 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -82.56 -29.68 30.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 72.05 110.911 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.75 -20.73 60.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 53.53 110.848 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -21.43 56.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 62.12 110.901 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -21.95 59.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 72.04 110.891 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -74.87 -20.37 59.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 65.53 110.89 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.71 -25.21 64.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 70.34 111.102 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -31.82 61.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.902 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 mmt85 -75.01 -32.38 61.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 74.15 110.843 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -27.19 68.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.892 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -26.13 59.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 65.24 110.914 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.79 162.53 72.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.688 0.756 . . . . 74.44 110.868 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.249 . . . . 71.31 112.376 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.912 0.387 . . . . 61.22 110.847 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.04 -26.68 56.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 71.44 110.904 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -20.59 60.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 72.15 110.874 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -21.45 56.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 74.01 110.931 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -22.04 59.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 71.24 110.867 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -74.91 -20.31 59.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.85 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.83 -25.15 64.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.114 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -55.12 -29.32 57.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 75.4 110.831 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -72.67 -30.75 64.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.32 110.861 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -26.47 65.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 64.31 110.842 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.0 ttm -73.41 -26.1 60.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 65.05 110.908 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.0 162.51 68.22 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.645 0.736 . . . . 53.51 110.906 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 74.42 112.349 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.918 0.39 . . . . 64.01 110.888 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -27.84 60.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 72.44 110.92 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.47 -20.73 43.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 73.34 110.892 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tp -58.8 -21.49 56.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 65.45 110.884 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -73.79 -22.0 59.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 33.44 110.898 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.95 -20.32 59.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 64.34 110.885 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.17 -25.23 65.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 51.43 111.106 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.15 -27.52 69.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.917 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -72.35 -32.64 66.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 74.24 110.815 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.04 -26.93 67.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 52.33 110.847 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -25.94 59.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.892 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -70.05 162.56 68.06 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.641 0.734 . . . . 64.02 110.871 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.273 . . . . 51.03 112.336 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.959 0.409 . . . . 73.35 110.871 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -32.78 44.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 63.34 110.935 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -20.7 59.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 75.1 110.855 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.87 -21.41 57.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 73.54 110.862 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -22.04 59.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 64.04 110.87 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -74.37 -20.27 60.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 74.55 110.808 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.16 -25.16 64.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 52.1 111.098 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -54.96 -32.07 61.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.15 110.889 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.4 -29.59 70.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 74.42 110.811 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -26.47 68.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 62.3 110.847 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.2 ttt -73.9 -25.87 60.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 71.13 110.835 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -70.0 162.5 68.26 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.634 0.731 . . . . 70.14 110.841 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 C--N 1.341 0.161 0 C-N-CA 122.744 2.296 . . . . 75.42 112.325 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.96 0.41 . . . . 74.52 110.842 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.93 -31.14 67.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.886 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -20.76 62.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 54.43 110.879 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.81 -21.42 56.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.913 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -73.78 -22.07 59.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 71.12 110.884 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -74.96 -20.39 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 63.02 110.846 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.86 -25.07 64.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 75.45 111.149 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -28.0 69.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 75.12 110.856 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -31.63 68.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.849 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -27.34 68.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 71.1 110.882 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.8 mtt -74.99 -25.71 59.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 74.32 110.915 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.99 162.53 68.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.731 . . . . 74.4 110.92 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.281 . . . . 72.31 112.335 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.923 0.392 . . . . 62.43 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -31.83 61.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 62.42 110.888 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.98 -20.73 60.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 65.23 110.863 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -21.42 56.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 55.13 110.95 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.8 -22.02 59.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 71.2 110.895 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -74.52 -20.33 60.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 63.53 110.835 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.2 -25.14 64.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 72.44 111.134 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -55.0 -32.03 61.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 73.3 110.87 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -65.37 -29.69 70.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.53 110.884 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -26.66 67.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 44.43 110.831 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -25.79 59.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 75.35 110.917 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -69.99 162.45 68.58 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.693 0.759 . . . . 54.32 110.882 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.693 2.262 . . . . 74.41 112.378 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.0 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.952 0.406 . . . . 61.35 110.884 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -73.62 -31.86 63.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.885 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.41 -20.67 47.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 73.42 110.858 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 tp -58.87 -21.39 57.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.923 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.3 ttt-85 -73.85 -22.0 59.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 41.15 110.928 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -75.02 -20.31 59.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 73.5 110.88 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.73 -25.32 64.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 63.34 111.131 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.24 -28.82 67.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 73.2 110.912 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 mtm-85 -69.01 -28.68 66.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 72.03 110.91 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.0 t -64.55 -27.59 69.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 65.32 110.877 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.8 ttt -75.02 -25.6 58.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 72.33 110.847 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.03 162.48 68.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.682 0.753 . . . . 73.05 110.9 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 C--N 1.342 0.212 0 C-N-CA 122.713 2.275 . . . . 71.22 112.324 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.911 0.386 . . . . 52.23 110.852 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -27.46 60.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 61.45 110.878 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -20.75 59.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 75.42 110.855 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.2 mt -58.78 -21.45 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 70.22 110.939 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -22.03 59.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 72.13 110.889 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -74.8 -20.33 59.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.847 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.24 -25.54 65.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 64.3 111.086 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -27.49 67.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 74.12 110.908 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -67.11 -27.44 67.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 73.04 110.883 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.4 t -63.87 -28.01 69.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 62.24 110.862 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.5 ttt -74.97 -25.48 58.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 71.41 110.89 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -70.03 162.48 68.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.701 0.762 . . . . 74.52 110.859 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 73.45 112.38 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.929 0.395 . . . . 73.4 110.883 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -28.18 60.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 71.45 110.928 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -20.74 59.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.5 110.865 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.82 -21.39 56.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 71.02 110.936 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -73.87 -21.99 59.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 71.11 110.863 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -74.67 -20.42 59.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 61.31 110.872 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.82 -25.95 65.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 65.41 111.089 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.94 -30.66 62.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 71.25 110.863 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -64.97 -27.9 69.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 73.2 110.894 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.9 t -73.61 -26.59 60.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 62.21 110.832 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -74.89 -25.64 59.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 75.15 110.864 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -69.94 162.45 68.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.677 0.751 . . . . 51.14 110.867 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 42.34 112.346 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.918 0.389 . . . . 71.24 110.845 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -70.34 -26.73 63.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 74.24 110.879 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.38 -20.78 54.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 71.55 110.864 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -21.5 56.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 64.21 110.902 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.76 -22.04 59.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.873 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -72.06 -20.39 61.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.868 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.38 -24.85 63.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 51.4 111.11 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -31.93 62.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 71.35 110.896 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.29 -26.33 67.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 73.23 110.892 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.6 t -73.66 -26.44 60.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 73.31 110.878 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.1 ttt -75.03 -25.63 58.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 65.11 110.86 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.03 162.46 68.66 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.666 0.746 . . . . 74.21 110.854 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 63.32 112.329 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.901 0.382 . . . . 73.12 110.839 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -27.28 64.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 74.25 110.901 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.03 -20.79 63.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.02 110.865 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 mt -58.89 -21.4 57.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 72.14 110.876 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -21.98 59.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.55 110.91 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -73.71 -20.4 60.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.01 110.858 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.44 -25.0 63.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 74.11 111.146 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -55.09 -32.03 61.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 73.31 110.922 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.7 -30.66 70.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 72.12 110.929 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.3 t -63.2 -26.46 68.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 42.32 110.823 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -25.54 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 75.33 110.845 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -70.02 162.53 68.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.693 0.759 . . . . 74.32 110.846 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 74.12 112.333 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.949 0.404 . . . . 64.33 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -70.18 -32.37 70.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.944 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.76 -20.69 62.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.854 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tt -58.9 -21.36 57.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 72.24 110.926 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -22.0 59.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 70.34 110.872 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -74.58 -20.4 59.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 52.23 110.872 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.04 -25.2 64.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 72.23 111.119 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -59.31 -29.4 67.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 62.02 110.894 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -67.15 -30.02 69.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 75.1 110.862 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -26.44 68.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 50.14 110.883 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.3 ttt -74.89 -25.54 59.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 72.33 110.907 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -69.97 162.49 68.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 73.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--N 1.341 0.156 0 C-N-CA 122.731 2.287 . . . . 42.34 112.345 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.894 0.378 . . . . 62.43 110.854 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -71.04 -30.22 66.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 73.33 110.832 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.48 -20.77 53.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 72.32 110.875 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tp -58.89 -21.4 57.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 73.41 110.874 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -22.0 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 63.12 110.919 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -74.91 -20.33 59.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.42 110.858 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.95 -25.24 66.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.04 111.134 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -55.34 -30.72 60.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.35 110.874 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -73.8 -26.46 60.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 71.01 110.86 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 t -69.92 -26.35 64.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 51.15 110.847 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 mtt -69.01 -25.37 64.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 71.05 110.887 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.95 162.51 68.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 74.55 110.918 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 63.15 112.367 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.909 0.385 . . . . 74.24 110.838 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.3 -32.82 70.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.894 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.46 -20.77 43.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 70.22 110.865 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tp -58.83 -21.4 56.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.11 110.893 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.78 -22.1 59.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.1 110.852 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -74.38 -20.36 60.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 60.01 110.905 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.08 -25.14 64.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 61.02 111.115 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -60.32 -28.72 68.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 64.41 110.868 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -70.63 -32.03 69.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.907 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.4 t -63.05 -26.31 68.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 54.02 110.844 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -25.46 59.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 64.12 110.871 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -69.98 162.46 68.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.673 0.749 . . . . 74.21 110.894 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 61.24 112.355 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.0 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.971 0.415 . . . . 74.31 110.848 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.08 -29.2 63.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 65.41 110.88 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -20.78 61.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.832 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.82 -21.36 56.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 75.05 110.939 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.93 -21.99 59.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.838 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -74.38 -20.39 60.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 65.31 110.873 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.49 -24.97 63.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 43.42 111.114 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -31.21 63.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.845 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.96 -32.52 70.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 55.15 110.853 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -62.39 -26.43 68.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 41.22 110.849 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.7 mtt -74.93 -25.18 58.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 75.31 110.914 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.02 162.45 68.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.702 0.763 . . . . 71.15 110.88 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.238 . . . . 61.55 112.342 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.925 0.393 . . . . 73.14 110.807 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -29.93 63.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 65.43 110.916 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.2 -20.81 57.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 62.51 110.902 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.88 -21.33 57.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 64.54 110.932 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -21.98 59.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 73.23 110.87 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -74.51 -20.47 59.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 52.52 110.848 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.99 -25.12 66.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 73.03 111.098 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -58.74 -27.94 65.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 72.33 110.897 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.15 -27.8 66.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 64.15 110.898 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.27 -26.27 61.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 71.22 110.872 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -25.26 61.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 74.22 110.933 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -69.98 162.48 68.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.683 0.754 . . . . 75.33 110.868 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.265 . . . . 73.43 112.363 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.964 0.412 . . . . 70.4 110.84 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.34 -27.75 52.87 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.132 -0.486 . . . . 74.41 110.895 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.1 -20.74 63.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 72.03 110.817 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -21.45 56.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 73.14 110.891 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -73.82 -22.01 59.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.884 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -74.69 -20.28 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 73.15 110.879 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.02 -25.29 65.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 61.33 111.091 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -55.11 -31.81 61.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 53.54 110.895 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -61.39 -26.13 67.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 73.1 110.846 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.2 t -68.7 -26.9 65.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 70.04 110.829 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.3 mmt -71.72 -25.22 61.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 72.44 110.837 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -69.95 162.52 67.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 72.41 110.911 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 45.53 112.361 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.985 0.422 . . . . 70.54 110.87 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -32.3 62.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.901 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.17 -20.71 60.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 65.41 110.887 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -21.5 55.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.886 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -73.76 -22.02 60.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.882 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -73.21 -20.2 60.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 64.14 110.86 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.48 -23.1 60.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 74.42 111.095 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -54.94 -32.86 61.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 75.12 110.871 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -32.47 73.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.51 110.888 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 t -73.04 -26.74 61.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 35.23 110.836 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -25.95 61.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.855 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -70.02 162.51 68.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.668 0.746 . . . . 74.23 110.898 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.735 2.29 . . . . 65.0 112.375 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.83 0.348 . . . . 74.54 110.855 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.1 m -71.28 -26.71 63.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 65.43 110.865 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -83.29 -30.41 27.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 51.34 110.918 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -20.76 61.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.869 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.86 -21.36 56.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 62.32 110.942 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -73.87 -21.98 59.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 70.1 110.884 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -74.54 -20.33 60.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 72.24 110.902 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.11 -25.21 64.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 61.12 111.079 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -64.1 -26.36 68.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 75.34 110.86 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -70.17 -30.38 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 63.04 110.884 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.0 t -56.16 -26.86 52.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 60.31 110.893 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.73 -26.07 59.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 72.34 110.889 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -76.49 162.47 70.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.654 0.74 . . . . 75.11 110.886 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -74.33 -17.63 21.22 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 73.22 112.33 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.6 t -86.91 -26.69 23.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.535 -1.211 . . . . 51.25 110.863 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 71.4 110.864 -179.933 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.846 0.355 . . . . 73.23 110.828 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 p -84.58 -27.67 27.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 71.1 110.836 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.07 -30.63 27.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 75.31 110.91 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.35 -20.7 50.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 74.34 110.876 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tp -58.86 -21.42 56.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 63.23 110.884 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -22.05 59.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 63.02 110.887 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -74.62 -20.38 59.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 55.21 110.854 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.28 -25.32 65.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 52.04 111.123 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.95 -31.6 60.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.871 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -32.69 67.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 72.54 110.904 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 p -64.1 -26.66 68.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 71.21 110.833 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -25.95 59.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 70.52 110.913 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -70.09 162.53 68.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.688 0.756 . . . . 73.23 110.877 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -74.52 -17.16 21.09 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 62.44 112.346 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.2 m -89.87 -26.5 20.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.577 -1.192 . . . . 62.43 110.873 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 70.01 110.921 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.833 0.349 . . . . 74.0 110.843 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.85 -29.59 62.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 60.01 110.886 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -82.56 -29.68 30.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 72.05 110.911 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.75 -20.73 60.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 53.53 110.848 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -21.43 56.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 62.12 110.901 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -21.95 59.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 72.04 110.891 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -74.87 -20.37 59.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 65.53 110.89 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.71 -25.21 64.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 70.34 111.102 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -31.82 61.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.902 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 mmt85 -75.01 -32.38 61.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 74.15 110.843 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -27.19 68.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.892 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -26.13 59.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 65.24 110.914 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.79 162.53 72.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.688 0.756 . . . . 74.44 110.868 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -74.56 -17.34 20.82 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.249 . . . . 71.31 112.376 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -89.2 -26.52 21.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.598 -1.183 . . . . 71.13 110.889 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 71.3 110.918 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.832 0.348 . . . . 63.1 110.855 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.35 -27.35 47.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 61.22 110.847 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.04 -26.68 56.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 71.44 110.904 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -20.59 60.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 72.15 110.874 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -21.45 56.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 74.01 110.931 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -22.04 59.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 71.24 110.867 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -74.91 -20.31 59.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.85 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.83 -25.15 64.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.114 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -55.12 -29.32 57.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 75.4 110.831 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -72.67 -30.75 64.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.32 110.861 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -26.47 65.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 64.31 110.842 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.0 ttm -73.41 -26.1 60.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 65.05 110.908 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.0 162.51 68.22 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.645 0.736 . . . . 53.51 110.906 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -74.74 -18.15 19.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 74.42 112.349 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.5 t -87.32 -26.49 23.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.533 -1.212 . . . . 65.41 110.81 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.857 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.813 0.339 . . . . 74.45 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.95 -27.59 30.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 64.01 110.888 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -27.84 60.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 72.44 110.92 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.47 -20.73 43.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 73.34 110.892 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tp -58.8 -21.49 56.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 65.45 110.884 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -73.79 -22.0 59.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 33.44 110.898 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.95 -20.32 59.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 64.34 110.885 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.17 -25.23 65.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 51.43 111.106 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.15 -27.52 69.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.917 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -72.35 -32.64 66.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 74.24 110.815 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.04 -26.93 67.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 52.33 110.847 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -25.94 59.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.892 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -70.05 162.56 68.06 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.641 0.734 . . . . 64.02 110.871 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -75.0 -17.28 19.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.273 . . . . 51.03 112.336 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.4 m -86.81 -26.78 23.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.578 -1.192 . . . . 72.54 110.814 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 71.45 110.88 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.809 0.338 . . . . 73.54 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -81.46 -31.37 33.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.871 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -32.78 44.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 63.34 110.935 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -20.7 59.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 75.1 110.855 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.87 -21.41 57.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 73.54 110.862 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -22.04 59.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 64.04 110.87 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -74.37 -20.27 60.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 74.55 110.808 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.16 -25.16 64.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 52.1 111.098 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -54.96 -32.07 61.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.15 110.889 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.4 -29.59 70.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 74.42 110.811 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -26.47 68.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 62.3 110.847 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.2 ttt -73.9 -25.87 60.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 71.13 110.835 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -70.0 162.5 68.26 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.634 0.731 . . . . 70.14 110.841 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -74.82 -16.92 20.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.744 2.296 . . . . 75.42 112.325 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -89.84 -27.41 19.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.524 -1.217 . . . . 74.42 110.819 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 61.03 110.921 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.799 0.333 . . . . 65.51 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.69 -28.27 64.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 74.52 110.842 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.93 -31.14 67.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.886 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -20.76 62.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 54.43 110.879 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.81 -21.42 56.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.913 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -73.78 -22.07 59.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 71.12 110.884 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -74.96 -20.39 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 63.02 110.846 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.86 -25.07 64.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 75.45 111.149 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -28.0 69.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 75.12 110.856 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -31.63 68.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.849 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -27.34 68.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 71.1 110.882 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.8 mtt -74.99 -25.71 59.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 74.32 110.915 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.99 162.53 68.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.731 . . . . 74.4 110.92 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -75.99 -16.97 17.79 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.281 . . . . 72.31 112.335 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -77.94 -26.68 49.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.508 -1.224 . . . . 74.34 110.865 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 74.1 110.898 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.831 0.348 . . . . 63.41 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 p -76.82 -26.53 54.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 62.43 110.89 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -31.83 61.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 62.42 110.888 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.98 -20.73 60.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 65.23 110.863 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -21.42 56.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 55.13 110.95 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.8 -22.02 59.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 71.2 110.895 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -74.52 -20.33 60.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 63.53 110.835 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.2 -25.14 64.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 72.44 111.134 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -55.0 -32.03 61.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 73.3 110.87 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -65.37 -29.69 70.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.53 110.884 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -26.66 67.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 44.43 110.831 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -25.79 59.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 75.35 110.917 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -69.99 162.45 68.58 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.693 0.759 . . . . 54.32 110.882 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -76.18 -16.84 17.45 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.693 2.262 . . . . 74.41 112.378 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.7 t -75.95 -26.71 57.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.531 -1.213 . . . . 45.04 110.861 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 71.13 110.882 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.831 0.348 . . . . 61.31 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.0 p -89.4 -27.86 20.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 61.35 110.884 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -73.62 -31.86 63.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.885 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.41 -20.67 47.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 73.42 110.858 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 tp -58.87 -21.39 57.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.923 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.3 ttt-85 -73.85 -22.0 59.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 41.15 110.928 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -75.02 -20.31 59.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 73.5 110.88 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.73 -25.32 64.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 63.34 111.131 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.24 -28.82 67.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 73.2 110.912 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 mtm-85 -69.01 -28.68 66.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 72.03 110.91 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.0 t -64.55 -27.59 69.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 65.32 110.877 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.8 ttt -75.02 -25.6 58.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 72.33 110.847 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.03 162.48 68.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.682 0.753 . . . . 73.05 110.9 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -76.1 -16.37 17.89 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.713 2.275 . . . . 71.22 112.324 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.4 t -75.17 -30.44 60.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.56 -1.2 . . . . 70.15 110.895 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 75.4 110.889 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.754 0.311 . . . . 62.13 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.2 -27.05 30.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 52.23 110.852 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -27.46 60.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 61.45 110.878 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -20.75 59.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 75.42 110.855 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.2 mt -58.78 -21.45 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 70.22 110.939 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -22.03 59.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 72.13 110.889 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -74.8 -20.33 59.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.847 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.24 -25.54 65.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 64.3 111.086 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -27.49 67.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 74.12 110.908 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -67.11 -27.44 67.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 73.04 110.883 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.4 t -63.87 -28.01 69.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 62.24 110.862 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.5 ttt -74.97 -25.48 58.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 71.41 110.89 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -70.03 162.48 68.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.701 0.762 . . . . 74.52 110.859 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -76.32 -16.58 17.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 73.45 112.38 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.6 t -70.29 -26.78 63.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.557 -1.202 . . . . 63.32 110.884 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.35 110.941 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.0 ptt-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.827 0.346 . . . . 72.34 110.863 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 t -71.19 -28.03 63.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 73.4 110.883 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -28.18 60.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 71.45 110.928 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -20.74 59.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.5 110.865 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.82 -21.39 56.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 71.02 110.936 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -73.87 -21.99 59.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 71.11 110.863 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -74.67 -20.42 59.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 61.31 110.872 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.82 -25.95 65.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 65.41 111.089 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.94 -30.66 62.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 71.25 110.863 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -64.97 -27.9 69.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 73.2 110.894 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.9 t -73.61 -26.59 60.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 62.21 110.832 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -74.89 -25.64 59.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 75.15 110.864 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -69.94 162.45 68.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.677 0.751 . . . . 51.14 110.867 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -76.31 -16.24 17.5 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 42.34 112.346 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.6 p -73.29 -26.82 61.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.539 -1.209 . . . . 65.23 110.829 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 73.24 110.869 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.835 0.35 . . . . 71.53 110.852 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.32 -26.93 62.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.845 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -70.34 -26.73 63.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 74.24 110.879 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.38 -20.78 54.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 71.55 110.864 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -21.5 56.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 64.21 110.902 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.76 -22.04 59.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.873 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -72.06 -20.39 61.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.868 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.38 -24.85 63.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 51.4 111.11 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -31.93 62.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 71.35 110.896 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.29 -26.33 67.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 73.23 110.892 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.6 t -73.66 -26.44 60.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 73.31 110.878 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.1 ttt -75.03 -25.63 58.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 65.11 110.86 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.03 162.46 68.66 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.666 0.746 . . . . 74.21 110.854 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -76.45 -16.29 17.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 63.32 112.329 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.39 -32.54 70.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.499 -1.228 . . . . 63.5 110.877 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 72.14 110.907 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.851 0.358 . . . . 72.32 110.906 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.24 -26.62 60.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 73.12 110.839 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -27.28 64.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 74.25 110.901 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.03 -20.79 63.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.02 110.865 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 mt -58.89 -21.4 57.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 72.14 110.876 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -21.98 59.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.55 110.91 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -73.71 -20.4 60.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.01 110.858 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.44 -25.0 63.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 74.11 111.146 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -55.09 -32.03 61.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 73.31 110.922 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.7 -30.66 70.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 72.12 110.929 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.3 t -63.2 -26.46 68.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 42.32 110.823 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -25.54 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 75.33 110.845 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -70.02 162.53 68.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.693 0.759 . . . . 74.32 110.846 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -76.19 -15.88 17.96 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 74.12 112.333 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 p -73.85 -26.42 60.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.523 -1.217 . . . . 53.25 110.824 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 61.3 110.93 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.811 0.338 . . . . 73.42 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -84.98 -26.95 26.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 64.33 110.86 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -70.18 -32.37 70.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.944 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.76 -20.69 62.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.854 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tt -58.9 -21.36 57.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 72.24 110.926 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -22.0 59.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 70.34 110.872 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -74.58 -20.4 59.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 52.23 110.872 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.04 -25.2 64.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 72.23 111.119 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -59.31 -29.4 67.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 62.02 110.894 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -67.15 -30.02 69.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 75.1 110.862 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -26.44 68.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 50.14 110.883 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.3 ttt -74.89 -25.54 59.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 72.33 110.907 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -69.97 162.49 68.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 73.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -76.22 -15.9 17.88 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.731 2.287 . . . . 42.34 112.345 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.27 -29.28 62.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.566 -1.197 . . . . 71.13 110.841 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.886 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.821 0.343 . . . . 72.43 110.87 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -82.35 -31.87 29.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 62.43 110.854 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -71.04 -30.22 66.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 73.33 110.832 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.48 -20.77 53.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 72.32 110.875 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tp -58.89 -21.4 57.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 73.41 110.874 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -22.0 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 63.12 110.919 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -74.91 -20.33 59.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.42 110.858 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.95 -25.24 66.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.04 111.134 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -55.34 -30.72 60.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.35 110.874 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -73.8 -26.46 60.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 71.01 110.86 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 t -69.92 -26.35 64.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 51.15 110.847 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 mtt -69.01 -25.37 64.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 71.05 110.887 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.95 162.51 68.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 74.55 110.918 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -76.42 -15.87 17.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 63.15 112.367 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.24 -29.79 21.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.528 -1.215 . . . . 51.25 110.882 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 75.24 110.879 -179.932 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 73.6 mtm180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.825 0.345 . . . . 72.3 110.885 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p -79.39 -26.55 41.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.838 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.3 -32.82 70.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.894 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.46 -20.77 43.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 70.22 110.865 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tp -58.83 -21.4 56.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.11 110.893 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.78 -22.1 59.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.1 110.852 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -74.38 -20.36 60.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 60.01 110.905 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.08 -25.14 64.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 61.02 111.115 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -60.32 -28.72 68.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 64.41 110.868 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -70.63 -32.03 69.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.907 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.4 t -63.05 -26.31 68.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 54.02 110.844 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -25.46 59.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 64.12 110.871 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -69.98 162.46 68.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.673 0.749 . . . . 74.21 110.894 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -76.3 -15.68 17.83 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 61.24 112.355 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.5 p -70.61 -30.55 67.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.548 -1.206 . . . . 74.55 110.825 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 64.34 110.901 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.826 0.346 . . . . 72.33 110.894 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.0 p -88.1 -26.58 22.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.848 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.08 -29.2 63.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 65.41 110.88 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -20.78 61.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.832 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.82 -21.36 56.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 75.05 110.939 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.93 -21.99 59.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.838 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -74.38 -20.39 60.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 65.31 110.873 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.49 -24.97 63.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 43.42 111.114 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -31.21 63.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.845 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.96 -32.52 70.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 55.15 110.853 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -62.39 -26.43 68.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 41.22 110.849 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.7 mtt -74.93 -25.18 58.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 75.31 110.914 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.02 162.45 68.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.702 0.763 . . . . 71.15 110.88 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -76.09 -15.47 18.4 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.238 . . . . 61.55 112.342 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.19 -29.9 66.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.581 -1.191 . . . . 73.4 110.889 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 55.5 110.886 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.809 0.338 . . . . 63.22 110.867 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -83.41 -26.97 29.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.807 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -29.93 63.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 65.43 110.916 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.2 -20.81 57.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 62.51 110.902 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.88 -21.33 57.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 64.54 110.932 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -21.98 59.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 73.23 110.87 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -74.51 -20.47 59.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 52.52 110.848 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.99 -25.12 66.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 73.03 111.098 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -58.74 -27.94 65.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 72.33 110.897 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.15 -27.8 66.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 64.15 110.898 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.27 -26.27 61.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 71.22 110.872 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -25.26 61.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 74.22 110.933 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -69.98 162.48 68.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.683 0.754 . . . . 75.33 110.868 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -76.91 -16.04 16.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.265 . . . . 73.43 112.363 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.13 -32.24 70.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.549 -1.205 . . . . 72.11 110.855 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 72.21 110.923 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.818 0.342 . . . . 71.53 110.89 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.47 -26.64 30.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 70.4 110.84 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.34 -27.75 52.87 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.132 -0.486 . . . . 74.41 110.895 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.1 -20.74 63.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 72.03 110.817 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -21.45 56.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 73.14 110.891 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -73.82 -22.01 59.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.884 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -74.69 -20.28 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 73.15 110.879 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.02 -25.29 65.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 61.33 111.091 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -55.11 -31.81 61.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 53.54 110.895 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -61.39 -26.13 67.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 73.1 110.846 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.2 t -68.7 -26.9 65.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 70.04 110.829 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.3 mmt -71.72 -25.22 61.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 72.44 110.837 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -69.95 162.52 67.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 72.41 110.911 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -76.85 -14.99 17.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 45.53 112.361 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.59 -32.82 62.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.556 -1.202 . . . . 64.2 110.852 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 74.24 110.875 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.804 0.335 . . . . 72.14 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.2 -32.51 21.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 70.54 110.87 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -32.3 62.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.901 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.17 -20.71 60.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 65.41 110.887 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -21.5 55.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.886 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -73.76 -22.02 60.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.882 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -73.21 -20.2 60.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 64.14 110.86 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.48 -23.1 60.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 74.42 111.095 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -54.94 -32.86 61.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 75.12 110.871 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -32.47 73.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.51 110.888 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 t -73.04 -26.74 61.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 35.23 110.836 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -25.95 61.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.855 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -70.02 162.51 68.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.668 0.746 . . . . 74.23 110.898 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -75.89 -17.12 17.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.735 2.29 . . . . 65.0 112.375 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 t -84.75 -26.54 27.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.547 -1.206 . . . . 73.11 110.842 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 74.23 110.91 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.1 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.892 0.377 . . . . 65.43 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -83.29 -30.41 27.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 51.34 110.918 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -20.76 61.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.869 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.86 -21.36 56.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 62.32 110.942 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -73.87 -21.98 59.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 70.1 110.884 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -74.54 -20.33 60.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 72.24 110.902 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.11 -25.21 64.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 61.12 111.079 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -64.1 -26.36 68.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 75.34 110.86 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -70.17 -30.38 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 63.04 110.884 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.0 t -56.16 -26.86 52.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 60.31 110.893 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.73 -26.07 59.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 72.34 110.889 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -76.49 162.47 70.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.654 0.74 . . . . 75.11 110.886 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 73.22 112.33 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.926 0.393 . . . . 71.1 110.836 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.07 -30.63 27.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 75.31 110.91 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.35 -20.7 50.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 74.34 110.876 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tp -58.86 -21.42 56.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 63.23 110.884 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -22.05 59.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 63.02 110.887 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -74.62 -20.38 59.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 55.21 110.854 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.28 -25.32 65.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 52.04 111.123 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.95 -31.6 60.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.871 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -32.69 67.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 72.54 110.904 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 p -64.1 -26.66 68.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 71.21 110.833 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -25.95 59.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 70.52 110.913 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -70.09 162.53 68.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.688 0.756 . . . . 73.23 110.877 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 62.44 112.346 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.931 0.396 . . . . 60.01 110.886 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -82.56 -29.68 30.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 72.05 110.911 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.75 -20.73 60.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 53.53 110.848 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -21.43 56.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 62.12 110.901 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -21.95 59.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 72.04 110.891 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -74.87 -20.37 59.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 65.53 110.89 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.71 -25.21 64.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 70.34 111.102 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -31.82 61.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.902 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 mmt85 -75.01 -32.38 61.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 74.15 110.843 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -27.19 68.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.892 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -26.13 59.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 65.24 110.914 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.79 162.53 72.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.688 0.756 . . . . 74.44 110.868 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.249 . . . . 71.31 112.376 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.912 0.387 . . . . 61.22 110.847 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.04 -26.68 56.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 71.44 110.904 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -20.59 60.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 72.15 110.874 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -21.45 56.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 74.01 110.931 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -22.04 59.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 71.24 110.867 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -74.91 -20.31 59.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.85 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.83 -25.15 64.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.114 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -55.12 -29.32 57.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 75.4 110.831 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -72.67 -30.75 64.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.32 110.861 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -26.47 65.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 64.31 110.842 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.0 ttm -73.41 -26.1 60.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 65.05 110.908 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.0 162.51 68.22 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.645 0.736 . . . . 53.51 110.906 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 74.42 112.349 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.918 0.39 . . . . 64.01 110.888 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -27.84 60.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 72.44 110.92 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.47 -20.73 43.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 73.34 110.892 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tp -58.8 -21.49 56.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 65.45 110.884 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -73.79 -22.0 59.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 33.44 110.898 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.95 -20.32 59.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 64.34 110.885 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.17 -25.23 65.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 51.43 111.106 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.15 -27.52 69.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.917 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -72.35 -32.64 66.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 74.24 110.815 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.04 -26.93 67.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 52.33 110.847 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -25.94 59.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.892 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -70.05 162.56 68.06 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.641 0.734 . . . . 64.02 110.871 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.273 . . . . 51.03 112.336 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.959 0.409 . . . . 73.35 110.871 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -32.78 44.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 63.34 110.935 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -20.7 59.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 75.1 110.855 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.87 -21.41 57.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 73.54 110.862 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -22.04 59.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 64.04 110.87 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -74.37 -20.27 60.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 74.55 110.808 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.16 -25.16 64.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 52.1 111.098 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -54.96 -32.07 61.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.15 110.889 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.4 -29.59 70.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 74.42 110.811 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -26.47 68.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 62.3 110.847 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.2 ttt -73.9 -25.87 60.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 71.13 110.835 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -70.0 162.5 68.26 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.634 0.731 . . . . 70.14 110.841 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 C--N 1.341 0.161 0 C-N-CA 122.744 2.296 . . . . 75.42 112.325 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.96 0.41 . . . . 74.52 110.842 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.93 -31.14 67.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.886 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -20.76 62.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 54.43 110.879 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.81 -21.42 56.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.913 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -73.78 -22.07 59.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 71.12 110.884 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -74.96 -20.39 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 63.02 110.846 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.86 -25.07 64.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 75.45 111.149 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -28.0 69.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 75.12 110.856 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -31.63 68.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.849 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -27.34 68.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 71.1 110.882 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.8 mtt -74.99 -25.71 59.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 74.32 110.915 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.99 162.53 68.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.731 . . . . 74.4 110.92 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.281 . . . . 72.31 112.335 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.923 0.392 . . . . 62.43 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -31.83 61.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 62.42 110.888 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.98 -20.73 60.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 65.23 110.863 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -21.42 56.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 55.13 110.95 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.8 -22.02 59.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 71.2 110.895 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -74.52 -20.33 60.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 63.53 110.835 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.2 -25.14 64.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 72.44 111.134 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -55.0 -32.03 61.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 73.3 110.87 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -65.37 -29.69 70.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.53 110.884 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -26.66 67.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 44.43 110.831 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -25.79 59.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 75.35 110.917 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -69.99 162.45 68.58 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.693 0.759 . . . . 54.32 110.882 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.693 2.262 . . . . 74.41 112.378 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.0 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.952 0.406 . . . . 61.35 110.884 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -73.62 -31.86 63.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.885 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.41 -20.67 47.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 73.42 110.858 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 tp -58.87 -21.39 57.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.923 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.3 ttt-85 -73.85 -22.0 59.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 41.15 110.928 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -75.02 -20.31 59.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 73.5 110.88 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.73 -25.32 64.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 63.34 111.131 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.24 -28.82 67.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 73.2 110.912 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 mtm-85 -69.01 -28.68 66.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 72.03 110.91 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.0 t -64.55 -27.59 69.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 65.32 110.877 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.8 ttt -75.02 -25.6 58.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 72.33 110.847 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.03 162.48 68.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.682 0.753 . . . . 73.05 110.9 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 C--N 1.342 0.212 0 C-N-CA 122.713 2.275 . . . . 71.22 112.324 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.911 0.386 . . . . 52.23 110.852 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -27.46 60.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 61.45 110.878 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -20.75 59.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 75.42 110.855 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.2 mt -58.78 -21.45 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 70.22 110.939 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -22.03 59.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 72.13 110.889 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -74.8 -20.33 59.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.847 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.24 -25.54 65.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 64.3 111.086 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -27.49 67.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 74.12 110.908 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -67.11 -27.44 67.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 73.04 110.883 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.4 t -63.87 -28.01 69.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 62.24 110.862 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.5 ttt -74.97 -25.48 58.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 71.41 110.89 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -70.03 162.48 68.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.701 0.762 . . . . 74.52 110.859 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 73.45 112.38 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.929 0.395 . . . . 73.4 110.883 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -28.18 60.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 71.45 110.928 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -20.74 59.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.5 110.865 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.82 -21.39 56.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 71.02 110.936 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -73.87 -21.99 59.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 71.11 110.863 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -74.67 -20.42 59.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 61.31 110.872 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.82 -25.95 65.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 65.41 111.089 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.94 -30.66 62.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 71.25 110.863 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -64.97 -27.9 69.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 73.2 110.894 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.9 t -73.61 -26.59 60.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 62.21 110.832 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -74.89 -25.64 59.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 75.15 110.864 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -69.94 162.45 68.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.677 0.751 . . . . 51.14 110.867 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 42.34 112.346 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.918 0.389 . . . . 71.24 110.845 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -70.34 -26.73 63.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 74.24 110.879 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.38 -20.78 54.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 71.55 110.864 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -21.5 56.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 64.21 110.902 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.76 -22.04 59.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.873 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -72.06 -20.39 61.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.868 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.38 -24.85 63.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 51.4 111.11 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -31.93 62.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 71.35 110.896 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.29 -26.33 67.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 73.23 110.892 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.6 t -73.66 -26.44 60.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 73.31 110.878 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.1 ttt -75.03 -25.63 58.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 65.11 110.86 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.03 162.46 68.66 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.666 0.746 . . . . 74.21 110.854 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 63.32 112.329 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.901 0.382 . . . . 73.12 110.839 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -27.28 64.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 74.25 110.901 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.03 -20.79 63.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.02 110.865 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 mt -58.89 -21.4 57.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 72.14 110.876 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -21.98 59.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.55 110.91 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -73.71 -20.4 60.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.01 110.858 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.44 -25.0 63.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 74.11 111.146 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -55.09 -32.03 61.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 73.31 110.922 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.7 -30.66 70.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 72.12 110.929 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.3 t -63.2 -26.46 68.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 42.32 110.823 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -25.54 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 75.33 110.845 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -70.02 162.53 68.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.693 0.759 . . . . 74.32 110.846 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 74.12 112.333 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.949 0.404 . . . . 64.33 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -70.18 -32.37 70.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.944 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.76 -20.69 62.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.854 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tt -58.9 -21.36 57.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 72.24 110.926 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -22.0 59.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 70.34 110.872 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -74.58 -20.4 59.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 52.23 110.872 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.04 -25.2 64.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 72.23 111.119 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -59.31 -29.4 67.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 62.02 110.894 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -67.15 -30.02 69.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 75.1 110.862 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -26.44 68.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 50.14 110.883 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.3 ttt -74.89 -25.54 59.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 72.33 110.907 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -69.97 162.49 68.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 73.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--N 1.341 0.156 0 C-N-CA 122.731 2.287 . . . . 42.34 112.345 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.894 0.378 . . . . 62.43 110.854 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -71.04 -30.22 66.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 73.33 110.832 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.48 -20.77 53.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 72.32 110.875 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tp -58.89 -21.4 57.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 73.41 110.874 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -22.0 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 63.12 110.919 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -74.91 -20.33 59.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.42 110.858 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.95 -25.24 66.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.04 111.134 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -55.34 -30.72 60.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.35 110.874 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -73.8 -26.46 60.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 71.01 110.86 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 t -69.92 -26.35 64.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 51.15 110.847 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 mtt -69.01 -25.37 64.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 71.05 110.887 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.95 162.51 68.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 74.55 110.918 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 63.15 112.367 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.909 0.385 . . . . 74.24 110.838 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.3 -32.82 70.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.894 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.46 -20.77 43.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 70.22 110.865 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tp -58.83 -21.4 56.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.11 110.893 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.78 -22.1 59.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.1 110.852 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -74.38 -20.36 60.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 60.01 110.905 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.08 -25.14 64.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 61.02 111.115 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -60.32 -28.72 68.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 64.41 110.868 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -70.63 -32.03 69.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.907 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.4 t -63.05 -26.31 68.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 54.02 110.844 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -25.46 59.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 64.12 110.871 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -69.98 162.46 68.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.673 0.749 . . . . 74.21 110.894 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 61.24 112.355 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.0 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.971 0.415 . . . . 74.31 110.848 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.08 -29.2 63.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 65.41 110.88 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -20.78 61.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.832 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.82 -21.36 56.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 75.05 110.939 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.93 -21.99 59.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.838 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -74.38 -20.39 60.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 65.31 110.873 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.49 -24.97 63.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 43.42 111.114 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -31.21 63.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.845 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.96 -32.52 70.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 55.15 110.853 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -62.39 -26.43 68.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 41.22 110.849 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.7 mtt -74.93 -25.18 58.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 75.31 110.914 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.02 162.45 68.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.702 0.763 . . . . 71.15 110.88 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.238 . . . . 61.55 112.342 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.925 0.393 . . . . 73.14 110.807 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -29.93 63.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 65.43 110.916 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.2 -20.81 57.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 62.51 110.902 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.88 -21.33 57.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 64.54 110.932 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -21.98 59.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 73.23 110.87 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -74.51 -20.47 59.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 52.52 110.848 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.99 -25.12 66.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 73.03 111.098 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -58.74 -27.94 65.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 72.33 110.897 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.15 -27.8 66.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 64.15 110.898 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.27 -26.27 61.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 71.22 110.872 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -25.26 61.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 74.22 110.933 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -69.98 162.48 68.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.683 0.754 . . . . 75.33 110.868 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.265 . . . . 73.43 112.363 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.964 0.412 . . . . 70.4 110.84 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.34 -27.75 52.87 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.132 -0.486 . . . . 74.41 110.895 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.1 -20.74 63.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 72.03 110.817 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -21.45 56.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 73.14 110.891 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -73.82 -22.01 59.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.884 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -74.69 -20.28 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 73.15 110.879 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.02 -25.29 65.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 61.33 111.091 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -55.11 -31.81 61.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 53.54 110.895 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -61.39 -26.13 67.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 73.1 110.846 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.2 t -68.7 -26.9 65.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 70.04 110.829 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.3 mmt -71.72 -25.22 61.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 72.44 110.837 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -69.95 162.52 67.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 72.41 110.911 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 45.53 112.361 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.985 0.422 . . . . 70.54 110.87 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -32.3 62.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.901 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.17 -20.71 60.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 65.41 110.887 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -21.5 55.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.886 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -73.76 -22.02 60.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.882 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -73.21 -20.2 60.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 64.14 110.86 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.48 -23.1 60.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 74.42 111.095 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -54.94 -32.86 61.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 75.12 110.871 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -32.47 73.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.51 110.888 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 t -73.04 -26.74 61.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 35.23 110.836 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -25.95 61.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.855 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -70.02 162.51 68.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.668 0.746 . . . . 74.23 110.898 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.735 2.29 . . . . 65.0 112.375 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.83 0.348 . . . . 74.54 110.855 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.1 m -71.28 -26.71 63.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 65.43 110.865 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -83.29 -30.41 27.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 51.34 110.918 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -20.76 61.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.869 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.86 -21.36 56.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 62.32 110.942 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -73.87 -21.98 59.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 70.1 110.884 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -74.54 -20.33 60.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 72.24 110.902 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.11 -25.21 64.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 61.12 111.079 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -64.1 -26.36 68.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 75.34 110.86 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -70.17 -30.38 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 63.04 110.884 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.0 t -56.16 -26.86 52.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 60.31 110.893 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.73 -26.07 59.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 72.34 110.889 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -76.49 162.47 70.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.654 0.74 . . . . 75.11 110.886 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -74.33 -17.63 21.22 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 73.22 112.33 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.6 t -86.91 -26.69 23.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.535 -1.211 . . . . 51.25 110.863 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 71.4 110.864 -179.933 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.846 0.355 . . . . 73.23 110.828 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 p -84.58 -27.67 27.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 71.1 110.836 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.07 -30.63 27.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 75.31 110.91 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.35 -20.7 50.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 74.34 110.876 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tp -58.86 -21.42 56.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 63.23 110.884 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -22.05 59.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 63.02 110.887 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -74.62 -20.38 59.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 55.21 110.854 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.28 -25.32 65.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 52.04 111.123 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.95 -31.6 60.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.871 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -32.69 67.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 72.54 110.904 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 p -64.1 -26.66 68.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 71.21 110.833 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -25.95 59.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 70.52 110.913 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -70.09 162.53 68.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.688 0.756 . . . . 73.23 110.877 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -74.52 -17.16 21.09 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 62.44 112.346 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.2 m -89.87 -26.5 20.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.577 -1.192 . . . . 62.43 110.873 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 70.01 110.921 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.833 0.349 . . . . 74.0 110.843 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.85 -29.59 62.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 60.01 110.886 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -82.56 -29.68 30.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 72.05 110.911 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.75 -20.73 60.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 53.53 110.848 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -21.43 56.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 62.12 110.901 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -21.95 59.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 72.04 110.891 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -74.87 -20.37 59.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 65.53 110.89 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.71 -25.21 64.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 70.34 111.102 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -31.82 61.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.902 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 mmt85 -75.01 -32.38 61.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 74.15 110.843 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -27.19 68.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.892 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -26.13 59.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 65.24 110.914 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.79 162.53 72.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.688 0.756 . . . . 74.44 110.868 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -74.56 -17.34 20.82 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.249 . . . . 71.31 112.376 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -89.2 -26.52 21.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.598 -1.183 . . . . 71.13 110.889 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 71.3 110.918 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.832 0.348 . . . . 63.1 110.855 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.35 -27.35 47.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 61.22 110.847 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.04 -26.68 56.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 71.44 110.904 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -20.59 60.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 72.15 110.874 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -21.45 56.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 74.01 110.931 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -22.04 59.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 71.24 110.867 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -74.91 -20.31 59.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.85 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.83 -25.15 64.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.114 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -55.12 -29.32 57.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 75.4 110.831 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -72.67 -30.75 64.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.32 110.861 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -26.47 65.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 64.31 110.842 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.0 ttm -73.41 -26.1 60.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 65.05 110.908 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.0 162.51 68.22 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.645 0.736 . . . . 53.51 110.906 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -74.74 -18.15 19.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 74.42 112.349 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.5 t -87.32 -26.49 23.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.533 -1.212 . . . . 65.41 110.81 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.857 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.813 0.339 . . . . 74.45 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.95 -27.59 30.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 64.01 110.888 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -27.84 60.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 72.44 110.92 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.47 -20.73 43.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 73.34 110.892 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tp -58.8 -21.49 56.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 65.45 110.884 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -73.79 -22.0 59.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 33.44 110.898 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.95 -20.32 59.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 64.34 110.885 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.17 -25.23 65.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 51.43 111.106 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.15 -27.52 69.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.917 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -72.35 -32.64 66.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 74.24 110.815 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.04 -26.93 67.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 52.33 110.847 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -25.94 59.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.892 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -70.05 162.56 68.06 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.641 0.734 . . . . 64.02 110.871 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -75.0 -17.28 19.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.273 . . . . 51.03 112.336 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.4 m -86.81 -26.78 23.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.578 -1.192 . . . . 72.54 110.814 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 71.45 110.88 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.809 0.338 . . . . 73.54 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -81.46 -31.37 33.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.871 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -32.78 44.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 63.34 110.935 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -20.7 59.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 75.1 110.855 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.87 -21.41 57.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 73.54 110.862 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -22.04 59.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 64.04 110.87 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -74.37 -20.27 60.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 74.55 110.808 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.16 -25.16 64.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 52.1 111.098 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -54.96 -32.07 61.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.15 110.889 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.4 -29.59 70.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 74.42 110.811 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -26.47 68.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 62.3 110.847 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.2 ttt -73.9 -25.87 60.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 71.13 110.835 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -70.0 162.5 68.26 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.634 0.731 . . . . 70.14 110.841 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -74.82 -16.92 20.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.744 2.296 . . . . 75.42 112.325 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -89.84 -27.41 19.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.524 -1.217 . . . . 74.42 110.819 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 61.03 110.921 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.799 0.333 . . . . 65.51 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.69 -28.27 64.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 74.52 110.842 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.93 -31.14 67.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.886 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -20.76 62.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 54.43 110.879 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.81 -21.42 56.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.913 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -73.78 -22.07 59.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 71.12 110.884 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -74.96 -20.39 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 63.02 110.846 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.86 -25.07 64.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 75.45 111.149 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -28.0 69.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 75.12 110.856 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -31.63 68.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.849 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -27.34 68.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 71.1 110.882 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.8 mtt -74.99 -25.71 59.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 74.32 110.915 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.99 162.53 68.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.731 . . . . 74.4 110.92 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -75.99 -16.97 17.79 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.281 . . . . 72.31 112.335 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -77.94 -26.68 49.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.508 -1.224 . . . . 74.34 110.865 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 74.1 110.898 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.831 0.348 . . . . 63.41 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 p -76.82 -26.53 54.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 62.43 110.89 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -31.83 61.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 62.42 110.888 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.98 -20.73 60.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 65.23 110.863 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -21.42 56.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 55.13 110.95 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.8 -22.02 59.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 71.2 110.895 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -74.52 -20.33 60.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 63.53 110.835 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.2 -25.14 64.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 72.44 111.134 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -55.0 -32.03 61.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 73.3 110.87 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -65.37 -29.69 70.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.53 110.884 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -26.66 67.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 44.43 110.831 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -25.79 59.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 75.35 110.917 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -69.99 162.45 68.58 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.693 0.759 . . . . 54.32 110.882 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -76.18 -16.84 17.45 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.693 2.262 . . . . 74.41 112.378 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.7 t -75.95 -26.71 57.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.531 -1.213 . . . . 45.04 110.861 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 71.13 110.882 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.831 0.348 . . . . 61.31 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.0 p -89.4 -27.86 20.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 61.35 110.884 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -73.62 -31.86 63.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.885 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.41 -20.67 47.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 73.42 110.858 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 tp -58.87 -21.39 57.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.923 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.3 ttt-85 -73.85 -22.0 59.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 41.15 110.928 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -75.02 -20.31 59.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 73.5 110.88 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.73 -25.32 64.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 63.34 111.131 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.24 -28.82 67.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 73.2 110.912 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 mtm-85 -69.01 -28.68 66.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 72.03 110.91 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.0 t -64.55 -27.59 69.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 65.32 110.877 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.8 ttt -75.02 -25.6 58.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 72.33 110.847 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.03 162.48 68.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.682 0.753 . . . . 73.05 110.9 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -76.1 -16.37 17.89 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.713 2.275 . . . . 71.22 112.324 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.4 t -75.17 -30.44 60.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.56 -1.2 . . . . 70.15 110.895 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 75.4 110.889 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.754 0.311 . . . . 62.13 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.2 -27.05 30.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 52.23 110.852 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -27.46 60.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 61.45 110.878 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -20.75 59.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 75.42 110.855 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.2 mt -58.78 -21.45 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 70.22 110.939 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -22.03 59.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 72.13 110.889 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -74.8 -20.33 59.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.847 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.24 -25.54 65.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 64.3 111.086 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -27.49 67.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 74.12 110.908 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -67.11 -27.44 67.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 73.04 110.883 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.4 t -63.87 -28.01 69.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 62.24 110.862 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.5 ttt -74.97 -25.48 58.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 71.41 110.89 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -70.03 162.48 68.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.701 0.762 . . . . 74.52 110.859 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -76.32 -16.58 17.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 73.45 112.38 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.6 t -70.29 -26.78 63.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.557 -1.202 . . . . 63.32 110.884 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.35 110.941 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.0 ptt-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.827 0.346 . . . . 72.34 110.863 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 t -71.19 -28.03 63.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 73.4 110.883 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -28.18 60.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 71.45 110.928 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -20.74 59.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.5 110.865 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.82 -21.39 56.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 71.02 110.936 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -73.87 -21.99 59.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 71.11 110.863 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -74.67 -20.42 59.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 61.31 110.872 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.82 -25.95 65.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 65.41 111.089 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.94 -30.66 62.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 71.25 110.863 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -64.97 -27.9 69.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 73.2 110.894 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.9 t -73.61 -26.59 60.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 62.21 110.832 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -74.89 -25.64 59.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 75.15 110.864 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -69.94 162.45 68.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.677 0.751 . . . . 51.14 110.867 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -76.31 -16.24 17.5 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 42.34 112.346 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.6 p -73.29 -26.82 61.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.539 -1.209 . . . . 65.23 110.829 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 73.24 110.869 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.835 0.35 . . . . 71.53 110.852 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.32 -26.93 62.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.845 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -70.34 -26.73 63.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 74.24 110.879 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.38 -20.78 54.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 71.55 110.864 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -21.5 56.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 64.21 110.902 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.76 -22.04 59.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.873 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -72.06 -20.39 61.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.868 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.38 -24.85 63.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 51.4 111.11 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -31.93 62.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 71.35 110.896 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.29 -26.33 67.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 73.23 110.892 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.6 t -73.66 -26.44 60.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 73.31 110.878 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.1 ttt -75.03 -25.63 58.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 65.11 110.86 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.03 162.46 68.66 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.666 0.746 . . . . 74.21 110.854 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -76.45 -16.29 17.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 63.32 112.329 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.39 -32.54 70.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.499 -1.228 . . . . 63.5 110.877 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 72.14 110.907 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.851 0.358 . . . . 72.32 110.906 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.24 -26.62 60.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 73.12 110.839 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -27.28 64.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 74.25 110.901 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.03 -20.79 63.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.02 110.865 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 mt -58.89 -21.4 57.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 72.14 110.876 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -21.98 59.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.55 110.91 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -73.71 -20.4 60.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.01 110.858 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.44 -25.0 63.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 74.11 111.146 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -55.09 -32.03 61.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 73.31 110.922 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.7 -30.66 70.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 72.12 110.929 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.3 t -63.2 -26.46 68.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 42.32 110.823 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -25.54 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 75.33 110.845 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -70.02 162.53 68.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.693 0.759 . . . . 74.32 110.846 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -76.19 -15.88 17.96 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 74.12 112.333 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 p -73.85 -26.42 60.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.523 -1.217 . . . . 53.25 110.824 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 61.3 110.93 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.811 0.338 . . . . 73.42 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -84.98 -26.95 26.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 64.33 110.86 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -70.18 -32.37 70.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.944 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.76 -20.69 62.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.854 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tt -58.9 -21.36 57.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 72.24 110.926 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -22.0 59.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 70.34 110.872 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -74.58 -20.4 59.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 52.23 110.872 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.04 -25.2 64.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 72.23 111.119 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -59.31 -29.4 67.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 62.02 110.894 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -67.15 -30.02 69.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 75.1 110.862 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -26.44 68.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 50.14 110.883 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.3 ttt -74.89 -25.54 59.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 72.33 110.907 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -69.97 162.49 68.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 73.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -76.22 -15.9 17.88 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.731 2.287 . . . . 42.34 112.345 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.27 -29.28 62.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.566 -1.197 . . . . 71.13 110.841 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.886 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.821 0.343 . . . . 72.43 110.87 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -82.35 -31.87 29.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 62.43 110.854 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -71.04 -30.22 66.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 73.33 110.832 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.48 -20.77 53.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 72.32 110.875 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tp -58.89 -21.4 57.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 73.41 110.874 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -22.0 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 63.12 110.919 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -74.91 -20.33 59.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.42 110.858 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.95 -25.24 66.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.04 111.134 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -55.34 -30.72 60.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.35 110.874 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -73.8 -26.46 60.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 71.01 110.86 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 t -69.92 -26.35 64.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 51.15 110.847 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 mtt -69.01 -25.37 64.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 71.05 110.887 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.95 162.51 68.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 74.55 110.918 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -76.42 -15.87 17.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 63.15 112.367 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.24 -29.79 21.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.528 -1.215 . . . . 51.25 110.882 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 75.24 110.879 -179.932 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 73.6 mtm180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.825 0.345 . . . . 72.3 110.885 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p -79.39 -26.55 41.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.838 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.3 -32.82 70.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.894 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.46 -20.77 43.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 70.22 110.865 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tp -58.83 -21.4 56.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.11 110.893 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.78 -22.1 59.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.1 110.852 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -74.38 -20.36 60.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 60.01 110.905 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.08 -25.14 64.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 61.02 111.115 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -60.32 -28.72 68.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 64.41 110.868 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -70.63 -32.03 69.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.907 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.4 t -63.05 -26.31 68.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 54.02 110.844 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -25.46 59.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 64.12 110.871 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -69.98 162.46 68.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.673 0.749 . . . . 74.21 110.894 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -76.3 -15.68 17.83 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 61.24 112.355 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.5 p -70.61 -30.55 67.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.548 -1.206 . . . . 74.55 110.825 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 64.34 110.901 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.826 0.346 . . . . 72.33 110.894 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.0 p -88.1 -26.58 22.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.848 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.08 -29.2 63.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 65.41 110.88 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -20.78 61.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.832 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.82 -21.36 56.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 75.05 110.939 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.93 -21.99 59.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.838 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -74.38 -20.39 60.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 65.31 110.873 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.49 -24.97 63.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 43.42 111.114 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -31.21 63.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.845 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.96 -32.52 70.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 55.15 110.853 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -62.39 -26.43 68.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 41.22 110.849 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.7 mtt -74.93 -25.18 58.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 75.31 110.914 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.02 162.45 68.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.702 0.763 . . . . 71.15 110.88 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -76.09 -15.47 18.4 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.238 . . . . 61.55 112.342 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.19 -29.9 66.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.581 -1.191 . . . . 73.4 110.889 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 55.5 110.886 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.809 0.338 . . . . 63.22 110.867 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -83.41 -26.97 29.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.807 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -29.93 63.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 65.43 110.916 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.2 -20.81 57.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 62.51 110.902 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.88 -21.33 57.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 64.54 110.932 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -21.98 59.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 73.23 110.87 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -74.51 -20.47 59.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 52.52 110.848 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.99 -25.12 66.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 73.03 111.098 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -58.74 -27.94 65.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 72.33 110.897 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.15 -27.8 66.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 64.15 110.898 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.27 -26.27 61.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 71.22 110.872 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -25.26 61.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 74.22 110.933 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -69.98 162.48 68.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.683 0.754 . . . . 75.33 110.868 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -76.91 -16.04 16.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.265 . . . . 73.43 112.363 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.13 -32.24 70.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.549 -1.205 . . . . 72.11 110.855 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 72.21 110.923 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.818 0.342 . . . . 71.53 110.89 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.47 -26.64 30.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 70.4 110.84 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.34 -27.75 52.87 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.132 -0.486 . . . . 74.41 110.895 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.1 -20.74 63.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 72.03 110.817 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -21.45 56.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 73.14 110.891 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -73.82 -22.01 59.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.884 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -74.69 -20.28 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 73.15 110.879 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.02 -25.29 65.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 61.33 111.091 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -55.11 -31.81 61.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 53.54 110.895 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -61.39 -26.13 67.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 73.1 110.846 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.2 t -68.7 -26.9 65.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 70.04 110.829 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.3 mmt -71.72 -25.22 61.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 72.44 110.837 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -69.95 162.52 67.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 72.41 110.911 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -76.85 -14.99 17.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 45.53 112.361 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.59 -32.82 62.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.556 -1.202 . . . . 64.2 110.852 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 74.24 110.875 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.804 0.335 . . . . 72.14 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.2 -32.51 21.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 70.54 110.87 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -32.3 62.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.901 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.17 -20.71 60.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 65.41 110.887 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -21.5 55.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.886 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -73.76 -22.02 60.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.882 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -73.21 -20.2 60.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 64.14 110.86 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.48 -23.1 60.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 74.42 111.095 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -54.94 -32.86 61.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 75.12 110.871 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -32.47 73.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.51 110.888 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 t -73.04 -26.74 61.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 35.23 110.836 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -25.95 61.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.855 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -70.02 162.51 68.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.668 0.746 . . . . 74.23 110.898 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -75.89 -17.12 17.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.735 2.29 . . . . 65.0 112.375 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 t -84.75 -26.54 27.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.547 -1.206 . . . . 73.11 110.842 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 74.23 110.91 -179.968 . . . . . . . . 0 0 . 1 stop_ save_