data_2n0n_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 2n0n _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 full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 43.2 m170 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.811 0.339 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.306 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.883 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -48.18 -29.21 3.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.196 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.37 -21.89 64.9 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.624 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -33.14 68.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.813 0.339 . . . . 0.0 110.781 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -42.44 68.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.754 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.62 -24.91 38.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.172 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.8 m -61.12 -46.02 92.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.027 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -83.85 -34.21 24.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.036 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.9 -54.12 43.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.626 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.376 -0.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.838 0.351 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.282 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -73.01 -31.74 64.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.712 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.29 -14.02 82.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.57 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -59.89 -38.48 82.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.782 0.325 . . . . 0.0 110.756 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.418 ' N ' ' HG3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -53.12 -52.62 58.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.963 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.81 -12.8 60.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.43 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.5 p -72.43 -37.99 68.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.102 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -90.56 -34.48 15.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.043 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -67.21 -37.58 83.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.967 0.413 . . . . 0.0 110.602 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.359 -0.382 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.3 t60 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.776 0.322 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.303 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.12 -32.28 73.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.59 -22.62 49.91 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.541 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -41.59 77.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.746 0.308 . . . . 0.0 110.581 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -41.79 -54.0 3.51 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.875 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 t -82.37 -25.77 33.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.328 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 t -58.95 -45.33 90.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.24 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.71 -34.59 17.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.138 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 1.9 m-85 -61.09 -50.26 73.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.988 0.423 . . . . 0.0 110.271 179.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.488 -0.323 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.706 0.288 . . . . 0.0 111.423 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -73.91 -30.34 62.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.47 -12.07 80.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.781 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -57.92 -45.12 87.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.739 0.304 . . . . 0.0 110.732 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.424 ' N ' ' HG3' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -52.32 -48.04 65.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.93 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.7 p -79.53 -20.16 47.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.455 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.3 p -61.52 -45.01 95.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.339 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -86.3 -35.87 19.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.059 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.24 -47.57 56.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.958 0.408 . . . . 0.0 110.603 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.487 -0.324 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.8 p80 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.771 0.32 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.351 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -60.3 -29.76 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.973 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.12 -30.87 78.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.547 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -30.04 68.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.331 . . . . 0.0 110.826 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -51.03 -49.23 60.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.47 -26.95 46.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.055 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 12' ' ' NH2 . 12.2 p -57.25 -41.22 79.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.114 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -90.49 -29.72 17.74 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.11 19.9 6.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.927 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . 0.401 ' N ' ' O ' ' A' ' 8' ' ' SER . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 6.0 m80 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.789 0.328 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.326 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.94 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.85 -30.5 62.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.883 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.17 2.33 71.38 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.744 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -68.28 -49.63 59.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.734 0.302 . . . . 0.0 110.645 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.409 ' N ' ' HG3' ' A' ' 5' ' ' LYS . 3.3 m-85 -51.96 -49.19 63.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.032 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.45 -20.87 42.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.538 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -59.24 -46.1 89.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -87.19 -36.39 18.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.016 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.49 -49.61 62.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.99 0.424 . . . . 0.0 110.447 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.498 -0.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 16.3 m80 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.836 0.351 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.262 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.94 -28.55 64.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.95 -25.05 52.5 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.636 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -69.65 -62.69 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.367 . . . . 0.0 110.427 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.432 ' HA ' ' HE3' ' A' ' 5' ' ' LYS . 62.4 m-85 -44.06 -39.26 4.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.07 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 t -86.89 -30.67 21.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.45 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -49.69 -36.21 24.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.997 0.427 . . . . 0.0 110.4 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -96.1 -45.23 6.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.985 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -58.15 -28.6 64.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.678 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.489 -0.323 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.299 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.56 -28.13 2.14 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.771 0.319 . . . . 0.0 111.331 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.49 -27.81 49.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.614 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -55.45 -37.63 67.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.821 0.343 . . . . 0.0 110.82 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.449 ' N ' ' HD3' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -46.59 -53.91 10.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.077 -179.592 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.12 -31.63 25.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.515 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.4 m -48.74 -41.68 32.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.985 0.422 . . . . 0.0 110.558 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -89.06 -40.5 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.715 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -54.85 -48.2 73.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.453 -0.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 16.3 m170 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.871 0.367 . . . . 0.0 111.298 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.308 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.827 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -60.49 -29.08 68.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.836 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.6 -31.62 26.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.528 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.449 ' HE3' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -71.61 -44.67 64.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.709 0.29 . . . . 0.0 111.131 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.449 ' N ' ' HE3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -43.92 -36.25 2.34 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.627 -179.472 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.13 -35.54 15.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.408 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.45 -28.4 19.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.025 0.44 . . . . 0.0 110.247 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -96.94 -53.01 3.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.089 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -56.53 -32.35 65.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.411 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.468 -0.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.838 0.352 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.245 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.3 mp0 -64.03 -27.51 69.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.96 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.39 -40.39 96.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -57.22 -46.98 82.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.762 0.315 . . . . 0.0 110.999 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.455 ' N ' ' HD3' ' A' ' 5' ' ' LYS . 35.4 m-85 -40.02 -56.39 1.86 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.85 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.7 m -82.86 -25.08 32.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.745 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.5 p -54.75 -34.79 63.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.08 0.467 . . . . 0.0 110.545 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -95.6 -40.14 9.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.62 -29.92 70.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.538 -0.301 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.5 m80 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.907 0.384 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.313 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.907 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -52.44 -25.48 10.16 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.035 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.49 -23.3 19.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.64 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -41.78 79.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.681 0.277 . . . . 0.0 110.947 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -43.02 -53.87 4.58 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.027 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 m -84.96 -19.48 32.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.136 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 t -64.52 -47.43 78.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.47 -33.19 17.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -74.89 -39.36 61.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.914 0.388 . . . . 0.0 110.448 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.43 -0.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.857 0.361 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.29 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.864 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -50.51 -29.83 11.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.58 -22.24 61.36 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.357 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.531 ' HE3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -60.25 -33.88 72.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.797 0.332 . . . . 0.0 110.45 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.531 ' HA ' ' HE3' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -46.46 -39.05 10.03 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.57 179.499 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.424 HG22 ' N ' ' A' ' 8' ' ' SER . 9.9 t -89.15 -31.1 18.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.233 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.424 ' N ' HG22 ' A' ' 7' ' ' THR . 66.7 m -58.7 -27.08 64.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.016 0.436 . . . . 0.0 110.188 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -95.08 -44.82 7.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.995 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -33.65 69.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.607 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.591 -0.277 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.4 t-160 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.816 0.341 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.271 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -18.14 61.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.238 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.15 -43.47 32.86 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.819 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -35.86 74.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.653 0.263 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -40.69 -61.34 0.96 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.362 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.6 m -76.34 -23.38 54.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.265 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 t -56.36 -52.79 63.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.101 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.37 -34.12 31.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.048 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.1 -62.13 1.97 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.928 0.394 . . . . 0.0 110.446 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 13.6 m170 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.895 0.379 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -68.13 -28.34 67.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.22 -30.7 75.88 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.555 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -36.79 85.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.658 0.266 . . . . 0.0 110.836 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.02 -60.46 1.2 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.509 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 m -78.94 -23.46 44.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.486 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 p -58.95 -43.77 91.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.28 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -91.29 -29.2 17.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.26 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -33.57 61.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.054 0.454 . . . . 0.0 110.441 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.859 0.361 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.249 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -68.85 -30.82 69.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.64 -26.41 70.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.596 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -59.59 -45.23 92.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.656 0.265 . . . . 0.0 111.027 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.442 ' HA ' ' HE3' ' A' ' 5' ' ' LYS . 2.1 t80 -40.51 -46.34 2.45 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.586 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.7 m -87.0 -29.91 21.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.342 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.9 p -52.89 -33.72 51.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.957 0.408 . . . . 0.0 110.45 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -96.18 -40.28 9.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.906 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -55.6 -29.51 59.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.523 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.406 -0.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.4 m80 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.785 0.326 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -53.36 -28.33 28.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.129 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.94 -45.51 41.84 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.515 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -28.78 66.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.793 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -47.67 -69.66 0.12 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.3 m -69.69 -20.33 63.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.387 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.2 t -59.67 -60.51 3.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.065 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -71.29 -34.3 70.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -76.06 -73.59 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 110.46 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.382 -0.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.862 0.363 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.322 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.778 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -30.7 69.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.74 -17.09 64.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.74 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -65.44 0.69 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.881 0.372 . . . . 0.0 110.969 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -44.92 -36.96 3.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.394 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.4 p -84.31 -22.53 30.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.654 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.3 m -63.3 -47.99 79.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.188 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.9 -35.79 16.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.612 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -78.49 -28.77 46.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.4 . . . . 0.0 110.673 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.778 0.323 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.326 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 -179.915 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -61.92 -18.49 60.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.08 -21.26 24.07 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.834 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.4 -60.98 2.0 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.821 0.343 . . . . 0.0 111.338 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -44.94 -37.88 4.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.401 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.81 -22.21 29.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.356 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.5 m -60.85 -47.92 84.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.87 -35.91 15.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.337 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -73.07 -41.35 64.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.953 0.406 . . . . 0.0 110.623 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.827 -0.17 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 16.3 t60 . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.834 0.35 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -68.88 -31.0 69.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.51 -29.18 72.72 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.58 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.09 -33.9 65.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.809 0.337 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -46.19 -64.49 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.555 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.403 ' HA ' ' HB2' ' A' ' 10' ' ' PHE . 4.5 m -80.15 -30.52 38.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.854 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.7 m -50.22 -37.28 34.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -91.67 -43.56 9.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.403 ' HB2' ' HA ' ' A' ' 7' ' ' THR . 6.6 m-85 -57.58 -36.57 71.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.485 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . 0.401 ' CJ ' ' C ' ' A' ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.466 -0.334 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.838 0.351 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.316 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -68.11 -27.9 66.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.797 0.332 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.46 -23.16 59.0 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.653 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.421 ' HE3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -65.23 -44.41 88.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.661 0.267 . . . . 0.0 110.939 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.421 ' HA ' ' HE3' ' A' ' 5' ' ' LYS . 8.3 t80 -38.25 -56.11 1.25 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.527 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.38 -21.3 33.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.599 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.0 p -57.12 -38.57 73.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.976 0.417 . . . . 0.0 110.287 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.47 -42.42 10.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.837 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -42.43 99.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.386 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.497 -0.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 43.2 m170 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.811 0.339 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.306 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.883 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -48.18 -29.21 3.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.196 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.37 -21.89 64.9 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.624 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -33.14 68.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.813 0.339 . . . . 0.0 110.781 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -42.44 68.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.754 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.444 HG22 ' CJ ' ' A' ' 11' ' ' PH8 . 0.6 OUTLIER -80.62 -24.91 38.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.172 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.8 m -61.12 -46.02 92.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.027 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -83.85 -34.21 24.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.036 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.9 -54.12 43.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.626 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . 0.444 ' CJ ' HG22 ' A' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.376 -0.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.838 0.351 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.282 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -73.01 -31.74 64.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.712 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.29 -14.02 82.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.57 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -59.89 -38.48 82.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.782 0.325 . . . . 0.0 110.756 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.421 ' N ' ' HG3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -53.12 -52.62 58.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.963 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.81 -12.8 60.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.43 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.5 p -72.43 -37.99 68.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.102 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -90.56 -34.48 15.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.043 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -67.21 -37.58 83.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.967 0.413 . . . . 0.0 110.602 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.359 -0.382 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.3 t60 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.776 0.322 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.303 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.12 -32.28 73.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.59 -22.62 49.91 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.541 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -41.59 77.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.746 0.308 . . . . 0.0 110.581 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.403 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -41.79 -54.0 3.51 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.875 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 t -82.37 -25.77 33.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.328 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 t -58.95 -45.33 90.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.24 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.71 -34.59 17.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.138 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.403 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 1.9 m-85 -61.09 -50.26 73.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.988 0.423 . . . . 0.0 110.271 179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.488 -0.323 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.403 ' O ' HB23 ' A' ' 2' ' ' AIB . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.706 0.288 . . . . 0.0 111.423 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' AIB . . . . . 0.403 HB23 ' O ' ' A' ' 1' ' ' HIS . . . . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -73.91 -30.34 62.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.47 -12.07 80.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.781 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -57.92 -45.12 87.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.739 0.304 . . . . 0.0 110.732 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.414 ' N ' ' HG3' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -52.32 -48.04 65.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.93 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.7 p -79.53 -20.16 47.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.455 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.3 p -61.52 -45.01 95.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.339 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -86.3 -35.87 19.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.059 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.24 -47.57 56.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.958 0.408 . . . . 0.0 110.603 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.487 -0.324 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.474 ' O ' HB13 ' A' ' 2' ' ' AIB . 13.1 p-80 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.771 0.32 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' AIB . . . . . 0.474 HB13 ' O ' ' A' ' 1' ' ' HIS . . . . . . . . 0 N--CA 1.466 0.351 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -60.3 -29.76 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.973 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.12 -30.87 78.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.547 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -30.04 68.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.331 . . . . 0.0 110.826 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -51.03 -49.23 60.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.47 -26.95 46.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.055 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 12' ' ' NH2 . 12.2 p -57.25 -41.22 79.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.114 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -90.49 -29.72 17.74 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.11 19.9 6.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.927 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . 0.401 ' N ' ' O ' ' A' ' 8' ' ' SER . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 6.0 m80 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.789 0.328 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.326 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.94 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.85 -30.5 62.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.883 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.17 2.33 71.38 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.744 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -49.63 59.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.734 0.302 . . . . 0.0 110.645 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -51.96 -49.19 63.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.032 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.45 -20.87 42.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.538 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -59.24 -46.1 89.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -87.19 -36.39 18.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.016 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.49 -49.61 62.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.99 0.424 . . . . 0.0 110.447 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.498 -0.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 16.3 m80 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.836 0.351 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.262 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.94 -28.55 64.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.95 -25.05 52.5 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.636 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -69.65 -62.69 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.367 . . . . 0.0 110.427 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.455 ' HA ' ' HE3' ' A' ' 5' ' ' LYS . 62.4 m-85 -44.06 -39.26 4.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.07 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 t -86.89 -30.67 21.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.45 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -49.69 -36.21 24.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.997 0.427 . . . . 0.0 110.4 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -96.1 -45.23 6.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.985 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -58.15 -28.6 64.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.678 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.489 -0.323 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.299 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.56 -28.13 2.14 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.771 0.319 . . . . 0.0 111.331 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.49 -27.81 49.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.614 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -55.45 -37.63 67.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.821 0.343 . . . . 0.0 110.82 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.445 ' N ' ' HD3' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -46.59 -53.91 10.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.077 -179.592 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.12 -31.63 25.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.515 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.4 m -48.74 -41.68 32.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.985 0.422 . . . . 0.0 110.558 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -89.06 -40.5 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.715 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -54.85 -48.2 73.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.453 -0.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 16.3 m170 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.871 0.367 . . . . 0.0 111.298 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' AIB . . . . . 0.69 HB11 ' HB3' ' A' ' 5' ' ' LYS . . . . . . . . 0 N--CA 1.465 0.308 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -60.49 -29.08 68.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.836 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.6 -31.62 26.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.528 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.69 ' HB3' HB11 ' A' ' 2' ' ' AIB . 0.0 OUTLIER -71.61 -44.67 64.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.709 0.29 . . . . 0.0 111.131 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.449 ' N ' ' HE3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -43.92 -36.25 2.34 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.627 -179.472 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.13 -35.54 15.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.408 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.419 ' HB2' ' HA ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -52.45 -28.4 19.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.025 0.44 . . . . 0.0 110.247 179.405 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -96.94 -53.01 3.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.089 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -56.53 -32.35 65.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.411 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.468 -0.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.838 0.352 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.245 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.3 mp0 -64.03 -27.51 69.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.96 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.39 -40.39 96.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.45 ' HD3' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -57.22 -46.98 82.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.762 0.315 . . . . 0.0 110.999 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.45 ' N ' ' HD3' ' A' ' 5' ' ' LYS . 35.4 m-85 -40.02 -56.39 1.86 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.85 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.7 m -82.86 -25.08 32.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.745 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.5 p -54.75 -34.79 63.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.08 0.467 . . . . 0.0 110.545 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -95.6 -40.14 9.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.62 -29.92 70.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.538 -0.301 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.5 m80 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.907 0.384 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.313 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.907 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -52.44 -25.48 10.16 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.035 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.49 -23.3 19.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.64 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.545 ' HZ1' ' C ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -57.1 -41.78 79.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.681 0.277 . . . . 0.0 110.947 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -43.02 -53.87 4.58 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.027 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 m -84.96 -19.48 32.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.136 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 t -64.52 -47.43 78.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.47 -33.19 17.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -74.89 -39.36 61.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.914 0.388 . . . . 0.0 110.448 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.43 -0.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 10.4 m80 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.857 0.361 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.29 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.864 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -50.51 -29.83 11.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.705 ' O ' HG22 ' A' ' 7' ' ' THR . . . -61.58 -22.24 61.36 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.357 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.551 ' HE3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -60.25 -33.88 72.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.797 0.332 . . . . 0.0 110.45 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.551 ' HA ' ' HE3' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -46.46 -39.05 10.03 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.57 179.499 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.9 t -89.15 -31.1 18.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.233 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.7 m -58.7 -27.08 64.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.016 0.436 . . . . 0.0 110.188 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -95.08 -44.82 7.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.995 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -33.65 69.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.607 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.591 -0.277 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.4 t-160 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.816 0.341 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.271 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -18.14 61.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.238 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.15 -43.47 32.86 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.819 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -35.86 74.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.653 0.263 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -40.69 -61.34 0.96 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.362 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.6 m -76.34 -23.38 54.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.265 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 t -56.36 -52.79 63.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.101 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.37 -34.12 31.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.048 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.1 -62.13 1.97 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.928 0.394 . . . . 0.0 110.446 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 13.6 m170 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.895 0.379 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -68.13 -28.34 67.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.22 -30.7 75.88 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.555 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -36.79 85.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.658 0.266 . . . . 0.0 110.836 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.02 -60.46 1.2 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.509 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 m -78.94 -23.46 44.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.486 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 p -58.95 -43.77 91.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.28 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -91.29 -29.2 17.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.26 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -33.57 61.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.054 0.454 . . . . 0.0 110.441 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.859 0.361 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.249 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -68.85 -30.82 69.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.64 -26.41 70.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.596 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.472 ' HE3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -59.59 -45.23 92.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.656 0.265 . . . . 0.0 111.027 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.472 ' HA ' ' HE3' ' A' ' 5' ' ' LYS . 2.1 t80 -40.51 -46.34 2.45 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.586 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.7 m -87.0 -29.91 21.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.342 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.9 p -52.89 -33.72 51.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.957 0.408 . . . . 0.0 110.45 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -96.18 -40.28 9.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.906 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -55.6 -29.51 59.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.523 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.406 -0.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.4 m80 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.785 0.326 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' AIB . . . . . 0.469 HB13 ' HG2' ' A' ' 5' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.278 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -53.36 -28.33 28.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.129 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.94 -45.51 41.84 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.515 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.469 ' HG2' HB13 ' A' ' 2' ' ' AIB . 0.0 OUTLIER -58.87 -28.78 66.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.793 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -47.67 -69.66 0.12 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.3 m -69.69 -20.33 63.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.387 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.2 t -59.67 -60.51 3.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.065 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -71.29 -34.3 70.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -76.06 -73.59 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 110.46 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.382 -0.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.862 0.363 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.322 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.778 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -30.7 69.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.74 -17.09 64.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.74 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -65.44 0.69 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.881 0.372 . . . . 0.0 110.969 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -44.92 -36.96 3.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.394 -179.663 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.4 p -84.31 -22.53 30.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.654 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.3 m -63.3 -47.99 79.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.188 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.9 -35.79 16.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.612 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.4 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 2.2 t80 -78.49 -28.77 46.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.4 . . . . 0.0 110.673 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.778 0.323 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.326 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 -179.915 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -61.92 -18.49 60.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.08 -21.26 24.07 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.834 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.4 -60.98 2.0 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.821 0.343 . . . . 0.0 111.338 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -44.94 -37.88 4.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.401 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.81 -22.21 29.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.356 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.5 m -60.85 -47.92 84.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.87 -35.91 15.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.337 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -73.07 -41.35 64.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.953 0.406 . . . . 0.0 110.623 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.827 -0.17 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 16.3 t60 . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.834 0.35 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -68.88 -31.0 69.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.51 -29.18 72.72 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.58 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.09 -33.9 65.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.809 0.337 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -46.19 -64.49 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.555 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.435 ' HA ' ' HB2' ' A' ' 10' ' ' PHE . 4.5 m -80.15 -30.52 38.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.854 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.7 m -50.22 -37.28 34.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -91.67 -43.56 9.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.435 ' HB2' ' HA ' ' A' ' 7' ' ' THR . 6.6 m-85 -57.58 -36.57 71.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.485 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . 0.401 ' CJ ' ' C ' ' A' ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.466 -0.334 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.838 0.351 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.316 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -68.11 -27.9 66.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.797 0.332 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.46 -23.16 59.0 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.653 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.449 ' HE3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -65.23 -44.41 88.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.661 0.267 . . . . 0.0 110.939 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.449 ' HA ' ' HE3' ' A' ' 5' ' ' LYS . 8.3 t80 -38.25 -56.11 1.25 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.527 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.38 -21.3 33.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.599 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.0 p -57.12 -38.57 73.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.976 0.417 . . . . 0.0 110.287 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.47 -42.42 10.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.837 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -42.43 99.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.386 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.497 -0.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 43.2 m170 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.811 0.339 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.306 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.883 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -48.18 -29.21 3.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.196 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.37 -21.89 64.9 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.624 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -33.14 68.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.813 0.339 . . . . 0.0 110.781 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -42.44 68.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.754 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.444 HG22 ' CJ ' ' A' ' 11' ' ' PH8 . 0.6 OUTLIER -80.62 -24.91 38.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.172 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.8 m -61.12 -46.02 92.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.027 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -83.85 -34.21 24.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.036 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.9 -54.12 43.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.626 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . 0.444 ' CJ ' HG22 ' A' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.376 -0.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.838 0.351 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.282 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -73.01 -31.74 64.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.712 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.29 -14.02 82.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.57 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -59.89 -38.48 82.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.782 0.325 . . . . 0.0 110.756 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.421 ' N ' ' HG3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -53.12 -52.62 58.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.963 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.81 -12.8 60.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.43 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.5 p -72.43 -37.99 68.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.102 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -90.56 -34.48 15.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.043 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -67.21 -37.58 83.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.967 0.413 . . . . 0.0 110.602 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.359 -0.382 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.3 t60 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.776 0.322 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.303 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.12 -32.28 73.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.59 -22.62 49.91 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.541 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -41.59 77.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.746 0.308 . . . . 0.0 110.581 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.403 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -41.79 -54.0 3.51 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.875 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 t -82.37 -25.77 33.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.328 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 t -58.95 -45.33 90.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.24 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.71 -34.59 17.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.138 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.403 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 1.9 m-85 -61.09 -50.26 73.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.988 0.423 . . . . 0.0 110.271 179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.488 -0.323 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.403 ' O ' HB23 ' A' ' 2' ' ' AIB . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.706 0.288 . . . . 0.0 111.423 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . 0.403 HB23 ' O ' ' A' ' 1' ' ' HIS . . . . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -73.91 -30.34 62.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.47 -12.07 80.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.781 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -57.92 -45.12 87.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.739 0.304 . . . . 0.0 110.732 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.414 ' N ' ' HG3' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -52.32 -48.04 65.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.93 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.7 p -79.53 -20.16 47.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.455 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.3 p -61.52 -45.01 95.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.339 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -86.3 -35.87 19.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.059 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.24 -47.57 56.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.958 0.408 . . . . 0.0 110.603 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.487 -0.324 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.474 ' O ' HB13 ' A' ' 2' ' ' AIB . 2.8 p80 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.771 0.32 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . 0.474 HB13 ' O ' ' A' ' 1' ' ' HIS . . . . . . . . 0 N--CA 1.466 0.351 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -60.3 -29.76 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.973 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.12 -30.87 78.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.547 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -30.04 68.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.331 . . . . 0.0 110.826 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -51.03 -49.23 60.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.47 -26.95 46.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.055 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 12' ' ' NH2 . 12.2 p -57.25 -41.22 79.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.114 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -90.49 -29.72 17.74 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.11 19.9 6.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.927 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . 0.401 ' N ' ' O ' ' A' ' 8' ' ' SER . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 6.0 m80 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.789 0.328 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.326 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.94 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.85 -30.5 62.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.883 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.17 2.33 71.38 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.744 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -49.63 59.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.734 0.302 . . . . 0.0 110.645 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -51.96 -49.19 63.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.032 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.45 -20.87 42.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.538 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -59.24 -46.1 89.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -87.19 -36.39 18.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.016 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.49 -49.61 62.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.99 0.424 . . . . 0.0 110.447 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.498 -0.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 16.3 m80 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.836 0.351 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.262 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.94 -28.55 64.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.95 -25.05 52.5 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.636 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -69.65 -62.69 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.367 . . . . 0.0 110.427 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.455 ' HA ' ' HE3' ' A' ' 5' ' ' LYS . 62.4 m-85 -44.06 -39.26 4.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.07 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 t -86.89 -30.67 21.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.45 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -49.69 -36.21 24.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.997 0.427 . . . . 0.0 110.4 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -96.1 -45.23 6.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.985 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -58.15 -28.6 64.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.678 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.489 -0.323 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.299 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.56 -28.13 2.14 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.771 0.319 . . . . 0.0 111.331 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.49 -27.81 49.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.614 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -55.45 -37.63 67.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.821 0.343 . . . . 0.0 110.82 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.445 ' N ' ' HD3' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -46.59 -53.91 10.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.077 -179.592 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.12 -31.63 25.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.515 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.4 m -48.74 -41.68 32.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.985 0.422 . . . . 0.0 110.558 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -89.06 -40.5 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.715 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -54.85 -48.2 73.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.453 -0.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 16.3 m170 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.871 0.367 . . . . 0.0 111.298 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . 0.69 HB11 ' HB3' ' A' ' 5' ' ' LYS . . . . . . . . 0 N--CA 1.465 0.308 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -60.49 -29.08 68.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.836 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.6 -31.62 26.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.528 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.69 ' HB3' HB11 ' A' ' 2' ' ' AIB . 0.0 OUTLIER -71.61 -44.67 64.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.709 0.29 . . . . 0.0 111.131 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.449 ' N ' ' HE3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -43.92 -36.25 2.34 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.627 -179.472 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.13 -35.54 15.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.408 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.419 ' HB2' ' HA ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -52.45 -28.4 19.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.025 0.44 . . . . 0.0 110.247 179.405 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -96.94 -53.01 3.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.089 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -56.53 -32.35 65.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.411 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.468 -0.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.838 0.352 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.245 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.3 mp0 -64.03 -27.51 69.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.96 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.39 -40.39 96.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.45 ' HD3' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -57.22 -46.98 82.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.762 0.315 . . . . 0.0 110.999 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.45 ' N ' ' HD3' ' A' ' 5' ' ' LYS . 35.4 m-85 -40.02 -56.39 1.86 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.85 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.7 m -82.86 -25.08 32.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.745 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.5 p -54.75 -34.79 63.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.08 0.467 . . . . 0.0 110.545 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -95.6 -40.14 9.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.62 -29.92 70.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.538 -0.301 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.5 m80 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.907 0.384 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.313 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.907 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -52.44 -25.48 10.16 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.035 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.49 -23.3 19.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.64 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.545 ' HZ1' ' C ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -57.1 -41.78 79.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.681 0.277 . . . . 0.0 110.947 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -43.02 -53.87 4.58 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.027 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 m -84.96 -19.48 32.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.136 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 t -64.52 -47.43 78.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.47 -33.19 17.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -74.89 -39.36 61.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.914 0.388 . . . . 0.0 110.448 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.43 -0.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.857 0.361 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.29 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.864 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -50.51 -29.83 11.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.705 ' O ' HG22 ' A' ' 7' ' ' THR . . . -61.58 -22.24 61.36 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.357 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.551 ' HE3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -60.25 -33.88 72.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.797 0.332 . . . . 0.0 110.45 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.551 ' HA ' ' HE3' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -46.46 -39.05 10.03 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.57 179.499 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.9 t -89.15 -31.1 18.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.233 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.7 m -58.7 -27.08 64.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.016 0.436 . . . . 0.0 110.188 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -95.08 -44.82 7.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.995 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -33.65 69.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.607 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.591 -0.277 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.4 t-160 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.816 0.341 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.271 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -18.14 61.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.238 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.15 -43.47 32.86 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.819 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -35.86 74.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.653 0.263 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -40.69 -61.34 0.96 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.362 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.6 m -76.34 -23.38 54.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.265 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 t -56.36 -52.79 63.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.101 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.37 -34.12 31.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.048 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.1 -62.13 1.97 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.928 0.394 . . . . 0.0 110.446 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 13.6 m170 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.895 0.379 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -68.13 -28.34 67.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.22 -30.7 75.88 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.555 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -36.79 85.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.658 0.266 . . . . 0.0 110.836 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.02 -60.46 1.2 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.509 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 m -78.94 -23.46 44.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.486 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 p -58.95 -43.77 91.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.28 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -91.29 -29.2 17.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.26 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -33.57 61.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.054 0.454 . . . . 0.0 110.441 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.859 0.361 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.249 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -68.85 -30.82 69.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.64 -26.41 70.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.596 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.472 ' HE3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -59.59 -45.23 92.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.656 0.265 . . . . 0.0 111.027 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.472 ' HA ' ' HE3' ' A' ' 5' ' ' LYS . 2.1 t80 -40.51 -46.34 2.45 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.586 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.7 m -87.0 -29.91 21.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.342 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.9 p -52.89 -33.72 51.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.957 0.408 . . . . 0.0 110.45 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -96.18 -40.28 9.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.906 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -55.6 -29.51 59.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.523 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.406 -0.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.4 m80 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.785 0.326 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . 0.469 HB13 ' HG2' ' A' ' 5' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.278 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -53.36 -28.33 28.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.129 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.94 -45.51 41.84 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.515 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.469 ' HG2' HB13 ' A' ' 2' ' ' AIB . 0.0 OUTLIER -58.87 -28.78 66.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.793 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -47.67 -69.66 0.12 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.3 m -69.69 -20.33 63.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.387 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.2 t -59.67 -60.51 3.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.065 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -71.29 -34.3 70.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -76.06 -73.59 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 110.46 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.382 -0.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.862 0.363 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.322 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.778 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -30.7 69.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.74 -17.09 64.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.74 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -65.44 0.69 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.881 0.372 . . . . 0.0 110.969 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -44.92 -36.96 3.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.394 -179.663 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.4 p -84.31 -22.53 30.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.654 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.3 m -63.3 -47.99 79.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.188 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.9 -35.79 16.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.612 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.4 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 2.2 t80 -78.49 -28.77 46.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.4 . . . . 0.0 110.673 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.778 0.323 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.326 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 -179.915 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -61.92 -18.49 60.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.08 -21.26 24.07 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.834 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.4 -60.98 2.0 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.821 0.343 . . . . 0.0 111.338 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -44.94 -37.88 4.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.401 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.81 -22.21 29.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.356 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.5 m -60.85 -47.92 84.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.87 -35.91 15.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.337 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -73.07 -41.35 64.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.953 0.406 . . . . 0.0 110.623 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.827 -0.17 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 16.3 t60 . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.834 0.35 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -68.88 -31.0 69.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.51 -29.18 72.72 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.58 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.09 -33.9 65.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.809 0.337 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -46.19 -64.49 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.555 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.435 ' HA ' ' HB2' ' A' ' 10' ' ' PHE . 4.5 m -80.15 -30.52 38.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.854 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.7 m -50.22 -37.28 34.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -91.67 -43.56 9.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.435 ' HB2' ' HA ' ' A' ' 7' ' ' THR . 6.6 m-85 -57.58 -36.57 71.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.485 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . 0.401 ' CJ ' ' C ' ' A' ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.466 -0.334 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.838 0.351 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.316 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -68.11 -27.9 66.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.797 0.332 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.46 -23.16 59.0 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.653 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.449 ' HE3' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -65.23 -44.41 88.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.661 0.267 . . . . 0.0 110.939 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.449 ' HA ' ' HE3' ' A' ' 5' ' ' LYS . 8.3 t80 -38.25 -56.11 1.25 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.527 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.38 -21.3 33.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.599 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.0 p -57.12 -38.57 73.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.976 0.417 . . . . 0.0 110.287 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.47 -42.42 10.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.837 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -42.43 99.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.386 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.497 -0.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_