data_2j15_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 2j15 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.2 t . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.948 0.404 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 69.2 m -125.93 136.11 52.65 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.08 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 57.4 m -103.48 125.28 49.96 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -124.78 -102.75 1.44 Allowed Glycine 0 C--N 1.321 -0.293 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.856 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.635 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -70.86 59.89 0.23 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.215 0.606 . . . . 0.0 111.862 -179.643 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.635 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 19.6 pttm 56.77 30.62 18.01 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.611 1.164 . . . . 0.0 110.938 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.1 tp -150.74 121.21 7.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.599 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 29.6 m -89.63 133.23 34.73 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.047 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 . . . . . 0 C--N 1.319 -0.729 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.9 t . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.1 p -134.21 121.01 20.75 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.047 0.451 . . . . 0.0 110.251 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.647 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 18.1 m -104.09 124.11 48.46 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.54 -99.32 2.21 Favored Glycine 0 C--N 1.321 -0.284 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.194 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.89 65.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.297 0.639 . . . . 0.0 111.417 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.27 34.31 6.12 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.552 1.141 . . . . 0.0 111.158 -178.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.5 tp -151.63 131.9 13.65 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.566 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.647 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 61.3 m -90.77 134.83 34.14 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.404 0.621 . . . . 0.0 110.792 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 . . . . . 0 C--N 1.316 -0.889 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -179.605 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 121.219 0.533 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.3 m -122.32 119.96 32.64 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.408 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 64.6 m -104.93 120.42 41.41 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -106.28 -117.48 4.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.954 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.43 57.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.233 0.613 . . . . 0.0 111.982 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 69.22 34.87 2.85 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.367 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.3 tp -150.23 122.35 8.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.17 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 42.1 m -98.0 138.31 35.51 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.68 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.1 p80 . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.569 179.713 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.8 m -117.65 120.19 37.26 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.535 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 68.3 m -106.48 129.81 54.38 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -135.69 -99.17 0.57 Allowed Glycine 0 C--N 1.319 -0.403 0 C-N-CA 120.192 -1.004 . . . . 0.0 113.445 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.62 61.92 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 123.299 0.64 . . . . 0.0 111.775 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.4 ' HG3' ' HZ1' ' A' ' 8' ' ' LYS . 16.7 pttp 51.81 32.63 9.94 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.481 1.112 . . . . 0.0 110.711 -178.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.9 tp -151.62 131.19 13.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.783 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 57.8 m -100.88 136.38 40.83 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.827 0.346 . . . . 0.0 110.285 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.7 p80 . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.856 179.724 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.8 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.2 m -121.23 126.29 49.25 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.013 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 25.9 m -103.46 129.12 50.53 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.69 -75.39 0.02 OUTLIER Glycine 0 C--N 1.319 -0.369 0 C-N-CA 119.833 -1.175 . . . . 0.0 114.179 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.65 52.77 0.53 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt 63.0 15.41 8.39 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.684 0.754 . . . . 0.0 110.648 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.3 tp -151.11 143.21 24.02 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.136 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.3 m -92.45 137.33 32.45 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.177 0.513 . . . . 0.0 110.49 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 80.6 t60 . . . . . 0 C--N 1.317 -0.808 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.188 -179.608 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.159 0.505 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.2 m -123.6 121.61 36.04 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.877 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 67.0 m -110.83 122.81 48.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.923 0.392 . . . . 0.0 110.254 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.87 -119.86 4.61 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.064 -0.588 . . . . 0.0 113.017 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.95 58.42 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.099 0.56 . . . . 0.0 112.117 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 69.86 36.09 2.13 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.445 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.5 tp -150.2 124.89 9.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.153 -0.93 . . . . 0.0 108.827 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.4 m -101.8 135.23 43.69 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.389 0.614 . . . . 0.0 111.206 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 80.5 t60 . . . . . 0 C--N 1.318 -0.795 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.082 179.64 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.6 t . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.805 0.336 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.9 m -123.83 133.71 53.74 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.62 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 37.5 m -104.14 119.32 38.69 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.953 0.406 . . . . 0.0 110.19 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.05 -115.75 3.81 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.786 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.95 59.36 0.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.186 0.594 . . . . 0.0 111.947 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt 68.29 33.66 4.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.626 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.6 tp -150.71 125.44 9.7 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.317 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.62 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 29.7 m -95.74 136.33 36.29 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.306 0.574 . . . . 0.0 110.679 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.0 t60 . . . . . 0 C--N 1.319 -0.756 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.418 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 121.376 0.608 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.9 p -138.28 135.84 35.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.783 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 57.0 m -104.22 121.74 43.93 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -118.85 -101.41 2.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.514 -0.85 . . . . 0.0 113.437 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.509 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -70.36 54.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -179.049 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 2.8 ptpp? 68.04 15.01 9.44 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.427 1.091 . . . . 0.0 110.836 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.4 tp -138.59 131.37 29.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.862 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 35.8 m -93.77 135.21 35.3 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.035 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.1 p80 . . . . . 0 C--N 1.322 -0.591 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.859 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.6 t . . . . . 0 N--CA 1.455 -0.225 0 CA-C-O 120.887 0.375 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 80.7 m -130.79 137.88 49.66 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.752 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.618 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 30.2 m -103.04 122.31 44.36 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -116.03 -100.8 2.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.357 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.441 ' HE1' HD21 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.82 55.81 0.18 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.092 0.557 . . . . 0.0 112.467 -179.331 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt 64.69 27.57 13.13 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.593 0.711 . . . . 0.0 110.226 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.441 HD21 ' HE1' ' A' ' 7' ' ' TYR . 58.2 tp -151.2 130.55 12.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.669 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.618 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 27.0 m -92.59 134.32 35.11 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.117 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.32 -0.678 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 46.5 m -129.58 132.2 46.73 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.013 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 45.0 m -103.69 124.09 48.21 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -122.34 -100.96 1.61 Allowed Glycine 0 C--N 1.319 -0.366 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.133 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.41 63.13 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.061 0.544 . . . . 0.0 111.598 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.4 pttp 52.8 33.23 13.72 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.482 1.113 . . . . 0.0 110.812 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.1 tp -151.53 129.37 11.66 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.146 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 41.4 m -95.38 133.88 38.82 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.902 0.382 . . . . 0.0 110.318 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.321 -0.662 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.705 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.1 t . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 75.5 m -129.33 133.31 47.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.799 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 47.0 m -103.87 120.44 41.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.005 0.431 . . . . 0.0 110.132 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.6 -114.69 3.97 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.69 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.496 ' HE1' HD21 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -71.53 59.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.284 0.634 . . . . 0.0 111.815 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 81.9 tttt 66.58 34.57 5.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.766 0.793 . . . . 0.0 109.987 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.496 HD21 ' HE1' ' A' ' 7' ' ' TYR . 59.5 tp -150.51 122.6 8.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.543 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 32.7 m -95.14 133.62 38.77 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.103 0.477 . . . . 0.0 110.493 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.3 p80 . . . . . 0 C--N 1.321 -0.636 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 121.395 0.617 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.1 m -117.77 118.14 31.24 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.638 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 60.9 m -106.06 131.38 53.41 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -146.27 -84.86 0.06 OUTLIER Glycine 0 C--N 1.32 -0.311 0 C-N-CA 119.713 -1.232 . . . . 0.0 113.945 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.519 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -73.2 58.1 0.51 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.671 0.388 . . . . 0.0 111.988 -179.044 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 17.1 ptpt 54.62 23.29 4.58 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.562 1.145 . . . . 0.0 111.047 -179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.0 tp -151.15 136.81 17.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.166 -0.925 . . . . 0.0 108.989 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.4 m -96.63 138.94 33.45 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.338 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.0 p80 . . . . . 0 C--N 1.322 -0.615 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.612 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.46 HG23 ' HB3' ' A' ' 10' ' ' CYS . 9.0 p . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 121.294 0.569 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.8 m -125.77 133.14 52.15 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.879 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 18.8 m -103.78 123.92 47.96 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -124.23 -89.27 0.84 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.159 -1.02 . . . . 0.0 113.748 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.87 54.45 0.37 Allowed 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 62.94 23.83 14.22 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.824 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.2 tp -151.15 137.26 18.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.056 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 35.0 m -91.99 137.21 32.55 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.181 0.515 . . . . 0.0 110.522 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 . . . . . 0 C--N 1.32 -0.707 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -179.362 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.3 t . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.2 m -130.18 130.87 45.24 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.762 0.315 . . . . 0.0 110.363 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.583 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 59.7 m -103.02 119.09 38.23 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.028 0.442 . . . . 0.0 109.904 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.5 -117.71 4.36 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.817 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.6 58.08 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.368 0.667 . . . . 0.0 111.946 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt 69.34 34.1 3.01 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.383 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.0 tp -150.57 118.0 6.07 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.945 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.583 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 38.6 m -91.96 130.87 37.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 . . . . . 0 C--N 1.318 -0.772 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.713 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.3 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.2 m -114.66 119.63 37.37 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.174 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 61.9 m -109.43 127.06 54.11 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -122.11 -107.04 1.94 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.352 -178.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.14 56.7 0.15 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.297 0.639 . . . . 0.0 112.577 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 64.68 28.67 13.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.775 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.4 tp -150.71 127.8 11.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.103 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 55.2 m -95.25 143.36 26.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.347 0.594 . . . . 0.0 111.402 -178.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 . . . . . 0 C--N 1.322 -0.611 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.615 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 120.852 0.358 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.4 m -128.83 134.29 48.29 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.076 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 57.7 m -103.64 124.36 48.68 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -123.0 -104.4 1.73 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.562 -0.828 . . . . 0.0 113.156 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.67 56.96 0.13 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.442 0.697 . . . . 0.0 112.376 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 63.2 27.08 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.252 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.7 tp -150.35 122.66 8.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.974 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 34.2 m -89.57 132.7 34.96 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.926 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 . . . . . 0 C--N 1.319 -0.756 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -179.866 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.549 HG13 ' HB3' ' A' ' 10' ' ' CYS . 14.9 t . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.806 0.336 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.9 m -120.38 133.33 55.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.949 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.526 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 35.2 m -104.87 119.15 38.31 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.71 -55.98 2.19 Favored Glycine 0 C--O 1.228 -0.248 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.92 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.411 ' O ' ' HD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -158.16 96.35 1.44 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.919 0.39 . . . . 0.0 110.027 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.5 pttp 51.66 26.06 3.18 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.12 0.968 . . . . 0.0 110.741 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.4 tp -152.59 131.16 12.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.087 -0.96 . . . . 0.0 108.635 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.549 ' HB3' HG13 ' A' ' 3' ' ' VAL . 33.8 m -116.23 142.64 46.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.096 0.474 . . . . 0.0 110.662 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 85.6 t60 . . . . . 0 C--N 1.32 -0.68 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -179.353 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.421 HG21 ' N ' ' A' ' 4' ' ' CYS . 6.7 p . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 121.404 0.621 . . . . 0.0 110.688 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.421 ' N ' HG21 ' A' ' 3' ' ' VAL . 35.9 m -128.37 132.77 48.55 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.747 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.662 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -104.55 133.18 49.85 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -132.81 -91.64 0.49 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.354 -0.927 . . . . 0.0 113.711 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.402 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -72.68 54.61 0.35 Allowed 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp 62.96 24.03 14.33 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.19 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.402 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 58.6 tp -150.72 129.49 12.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.662 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 31.8 m -89.43 137.43 32.33 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.361 -178.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.605 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.7 p -135.71 139.15 43.42 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 18.8 m -103.0 116.79 33.21 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.068 0.461 . . . . 0.0 110.147 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.71 -110.08 2.98 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.05 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.02 57.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 123.319 0.648 . . . . 0.0 112.192 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.529 ' HZ2' ' HB3' ' A' ' 8' ' ' LYS . 10.1 mtpm? 66.82 31.56 7.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.905 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.2 tp -150.93 127.49 10.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.223 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 30.1 m -91.4 133.78 35.18 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.167 0.508 . . . . 0.0 110.479 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.6 t60 . . . . . 0 C--N 1.317 -0.806 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -179.141 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 t . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.8 m -126.25 129.58 49.21 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 36.2 m -103.56 120.16 40.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -107.34 -110.07 3.42 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.76 -0.655 . . . . 0.0 113.172 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.427 ' HE1' HD21 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -71.1 57.52 0.22 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.164 0.586 . . . . 0.0 112.315 -179.351 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? 66.77 31.92 7.15 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.536 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.427 HD21 ' HE1' ' A' ' 7' ' ' TYR . 59.1 tp -150.64 128.72 11.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.449 -0.796 . . . . 0.0 108.995 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 41.9 m -95.53 133.26 39.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.263 0.554 . . . . 0.0 110.845 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 . . . . . 0 C--N 1.317 -0.823 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.681 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 1.18 ' CG2' ' CA ' ' A' ' 3' ' ' VAL . 42.9 t . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 120.949 0.404 . . . . 1.17 110.386 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 m -126.25 129.62 49.28 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 116.021 -0.536 . . . . 0.81 110.292 -179.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 60.9 m -104.86 123.82 48.38 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.657 -0.497 . . . . 0.37 109.657 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -117.27 -101.37 2.16 Favored Glycine 0 C--O 1.184 -3.004 0 C-N-CA 120.463 -0.875 . . . . 0.61 113.719 -178.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 1.496 ' CZ ' ' CD1' ' A' ' 7' ' ' TYR . 3.2 p90 -75.5 59.7 1.13 Allowed 'General case' 0 C--N 1.274 -2.704 0 N-CA-C 113.323 0.86 . . . . 1.76 113.323 -179.341 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 1.543 ' CB ' ' CD ' ' A' ' 8' ' ' LYS . 3.5 mttt 62.32 28.88 17.17 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.358 -0.837 . . . . 3.29 110.882 -179.622 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 1.018 HD12 ' CG ' ' A' ' 9' ' ' LEU . 57.4 tp -150.53 128.67 11.92 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 115.432 -0.804 . . . . 1.21 109.409 179.386 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 38.3 m -95.24 136.03 36.09 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 120.984 0.421 . . . . 0.21 110.425 -179.476 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.423 ' CG ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.214 -0.802 0 CA-C-N 115.86 -0.609 . . . . 2.78 109.884 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 121.068 0.461 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.492 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . 175.19 -160.44 29.2 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.2 t -106.93 137.36 38.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.948 0.404 . . . . 0.0 110.339 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 69.2 m -125.93 136.11 52.65 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.08 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 57.4 m -103.48 125.28 49.96 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -124.78 -102.75 1.44 Allowed Glycine 0 C--N 1.321 -0.293 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.856 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.635 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -70.86 59.89 0.23 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.215 0.606 . . . . 0.0 111.862 -179.643 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.635 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 19.6 pttm 56.77 30.62 18.01 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.611 1.164 . . . . 0.0 110.938 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.1 tp -150.74 121.21 7.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.599 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 29.6 m -89.63 133.23 34.73 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.047 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 -151.36 155.85 39.52 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.492 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -54.12 11.2 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.891 -178.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.19 42.9 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.618 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.289 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.602 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 43.6 t30 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 121.029 0.442 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.06 -141.45 12.79 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.316 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.9 t -88.52 137.0 22.0 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.1 p -134.21 121.01 20.75 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.047 0.451 . . . . 0.0 110.251 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.647 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 18.1 m -104.09 124.11 48.46 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.54 -99.32 2.21 Favored Glycine 0 C--N 1.321 -0.284 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.194 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.89 65.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.297 0.639 . . . . 0.0 111.417 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.27 34.31 6.12 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.552 1.141 . . . . 0.0 111.158 -178.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.5 tp -151.63 131.9 13.65 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.566 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.647 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 61.3 m -90.77 134.83 34.14 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.404 0.621 . . . . 0.0 110.792 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -128.47 154.2 46.34 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.4 m -107.91 119.99 41.01 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.685 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.02 129.71 40.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.467 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.987 179.594 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.435 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.53 0.205 . . . . 0.0 110.764 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 128.21 -145.8 16.3 Favored Glycine 0 CA--C 1.506 -0.51 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.192 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 p -89.48 133.11 32.46 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 CA-C-O 121.219 0.533 . . . . 0.0 110.34 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.3 m -122.32 119.96 32.64 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.408 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 64.6 m -104.93 120.42 41.41 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -106.28 -117.48 4.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.954 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.43 57.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.233 0.613 . . . . 0.0 111.982 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 69.22 34.87 2.85 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.367 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.3 tp -150.23 122.35 8.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.17 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 42.1 m -98.0 138.31 35.51 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.68 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -142.71 143.32 32.22 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.569 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.435 ' HB2' ' HB3' ' A' ' 1' ' ' ASN . 64.3 m -117.73 126.72 52.98 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.268 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.53 124.74 22.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.41 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.43 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.674 179.786 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.592 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 8.7 m120 . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 120.767 0.318 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 115.13 -144.21 18.36 Favored Glycine 0 CA--C 1.505 -0.564 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.088 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 t -89.32 130.14 39.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.8 m -117.65 120.19 37.26 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.535 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 68.3 m -106.48 129.81 54.38 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -135.69 -99.17 0.57 Allowed Glycine 0 C--N 1.319 -0.403 0 C-N-CA 120.192 -1.004 . . . . 0.0 113.445 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.62 61.92 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 123.299 0.64 . . . . 0.0 111.775 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' HG3' ' HZ1' ' A' ' 8' ' ' LYS . 16.7 pttp 51.81 32.63 9.94 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.481 1.112 . . . . 0.0 110.711 -178.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.9 tp -151.62 131.19 13.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.783 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 57.8 m -100.88 136.38 40.83 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.827 0.346 . . . . 0.0 110.285 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -138.06 140.63 40.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.856 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.592 ' HB2' ' HB2' ' A' ' 1' ' ' ASN . 57.6 m -123.46 127.54 48.54 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.021 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.49 121.5 13.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.412 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-N 115.838 -0.619 . . . . 0.0 113.375 179.739 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.993 0.425 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . -170.44 158.62 30.56 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.49 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.481 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 5.8 t -88.03 133.23 31.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.2 m -121.23 126.29 49.25 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.013 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 25.9 m -103.46 129.12 50.53 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.69 -75.39 0.02 OUTLIER Glycine 0 C--N 1.319 -0.369 0 C-N-CA 119.833 -1.175 . . . . 0.0 114.179 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.65 52.77 0.53 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt 63.0 15.41 8.39 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.684 0.754 . . . . 0.0 110.648 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.3 tp -151.11 143.21 24.02 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.136 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.3 m -92.45 137.33 32.45 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.177 0.513 . . . . 0.0 110.49 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -147.37 134.22 20.14 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.188 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.481 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.6 m -66.28 -46.09 78.21 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 123.565 0.541 . . . . 0.0 111.195 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -158.85 37.69 0.22 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.308 0.575 . . . . 0.0 110.868 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.65 179.768 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 47.3 t30 . . . . . 0 C--O 1.228 -0.071 0 CA-C-O 121.001 0.429 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 136.82 -147.56 19.29 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.329 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.4 p -89.28 135.86 24.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-O 121.159 0.505 . . . . 0.0 110.482 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.2 m -123.6 121.61 36.04 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.877 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 67.0 m -110.83 122.81 48.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.923 0.392 . . . . 0.0 110.254 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.87 -119.86 4.61 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.064 -0.588 . . . . 0.0 113.017 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.95 58.42 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.099 0.56 . . . . 0.0 112.117 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 69.86 36.09 2.13 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.445 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.5 tp -150.2 124.89 9.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.153 -0.93 . . . . 0.0 108.827 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.4 m -101.8 135.23 43.69 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.389 0.614 . . . . 0.0 111.206 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -134.38 134.64 41.93 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.082 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 83.3 m -105.45 123.89 48.63 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.525 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.83 127.39 31.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.25 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.409 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.988 179.6 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 121.193 0.52 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . 174.62 -160.13 29.26 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.264 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.6 t -109.22 137.16 42.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.805 0.336 . . . . 0.0 110.24 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.9 m -123.83 133.71 53.74 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.62 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 37.5 m -104.14 119.32 38.69 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.953 0.406 . . . . 0.0 110.19 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.05 -115.75 3.81 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.786 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.95 59.36 0.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.186 0.594 . . . . 0.0 111.947 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt 68.29 33.66 4.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.626 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.6 tp -150.71 125.44 9.7 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.317 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.62 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 29.7 m -95.74 136.33 36.29 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.306 0.574 . . . . 0.0 110.679 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -150.39 145.95 26.4 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.42 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -56.38 9.78 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.569 -177.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.62 43.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.099 0.476 . . . . 0.0 110.957 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.224 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.482 179.861 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 121.754 0.788 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.39 137.97 5.19 Favored Glycine 0 CA--C 1.502 -0.781 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.495 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -96.6 144.06 11.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 CA-C-O 121.376 0.608 . . . . 0.0 111.236 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.9 p -138.28 135.84 35.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.783 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 57.0 m -104.22 121.74 43.93 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -118.85 -101.41 2.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.514 -0.85 . . . . 0.0 113.437 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.509 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -70.36 54.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -179.049 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 2.8 ptpp? 68.04 15.01 9.44 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.427 1.091 . . . . 0.0 110.836 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.4 tp -138.59 131.37 29.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.862 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 35.8 m -93.77 135.21 35.3 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.035 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -150.56 164.24 36.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -112.25 -56.06 2.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.71 29.89 4.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.233 0.54 . . . . 0.0 111.184 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.421 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.559 179.839 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.9 p30 . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.759 0.314 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.439 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . -153.93 -170.49 19.99 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.679 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.6 t -106.72 135.22 45.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.887 0.375 . . . . 0.0 110.552 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 80.7 m -130.79 137.88 49.66 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.752 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.618 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 30.2 m -103.04 122.31 44.36 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -116.03 -100.8 2.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.357 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.441 ' HE1' HD21 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.82 55.81 0.18 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.092 0.557 . . . . 0.0 112.467 -179.331 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt 64.69 27.57 13.13 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.593 0.711 . . . . 0.0 110.226 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.441 HD21 ' HE1' ' A' ' 7' ' ' TYR . 58.2 tp -151.2 130.55 12.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.669 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.618 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 27.0 m -92.59 134.32 35.11 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.117 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -151.14 165.78 32.84 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.439 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.3 m -65.48 -52.7 50.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.8 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.05 45.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.487 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.771 -179.754 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.729 0.299 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . -100.49 143.52 16.34 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.259 -0.972 . . . . 0.0 111.524 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.4 t -88.83 133.44 31.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 46.5 m -129.58 132.2 46.73 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.013 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 45.0 m -103.69 124.09 48.21 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -122.34 -100.96 1.61 Allowed Glycine 0 C--N 1.319 -0.366 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.133 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.41 63.13 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.061 0.544 . . . . 0.0 111.598 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.4 pttp 52.8 33.23 13.72 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.482 1.113 . . . . 0.0 110.812 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.1 tp -151.53 129.37 11.66 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.146 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 41.4 m -95.38 133.88 38.82 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.902 0.382 . . . . 0.0 110.318 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -150.85 151.01 31.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.705 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.529 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.4 -37.47 71.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.037 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.66 41.18 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.067 0.46 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.538 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.471 179.752 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 39.9 t30 . . . . . 0 C--O 1.228 -0.062 0 CA-C-O 121.211 0.529 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . 174.39 -141.82 6.1 Favored Glycine 0 CA--C 1.502 -0.781 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 -179.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.1 t -99.36 134.23 39.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 75.5 m -129.33 133.31 47.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.799 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 47.0 m -103.87 120.44 41.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.005 0.431 . . . . 0.0 110.132 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.6 -114.69 3.97 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.69 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.496 ' HE1' HD21 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -71.53 59.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.284 0.634 . . . . 0.0 111.815 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 81.9 tttt 66.58 34.57 5.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.766 0.793 . . . . 0.0 109.987 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.496 HD21 ' HE1' ' A' ' 7' ' ' TYR . 59.5 tp -150.51 122.6 8.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.543 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 32.7 m -95.14 133.62 38.77 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.103 0.477 . . . . 0.0 110.493 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -151.05 159.15 44.71 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.42 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -82.99 -165.62 1.12 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.201 -179.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.39 57.03 1.84 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.727 0.298 . . . . 0.0 111.708 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.421 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.355 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.444 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 7.0 m120 . . . . . 0 N--CA 1.458 -0.074 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.79 -141.3 15.24 Favored Glycine 0 CA--C 1.504 -0.631 0 C-N-CA 120.271 -0.966 . . . . 0.0 111.166 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.2 p -88.99 130.24 38.69 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-O 121.395 0.617 . . . . 0.0 110.623 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.1 m -117.77 118.14 31.24 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.638 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 60.9 m -106.06 131.38 53.41 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -146.27 -84.86 0.06 OUTLIER Glycine 0 C--N 1.32 -0.311 0 C-N-CA 119.713 -1.232 . . . . 0.0 113.945 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.519 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -73.2 58.1 0.51 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.671 0.388 . . . . 0.0 111.988 -179.044 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 17.1 ptpt 54.62 23.29 4.58 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.562 1.145 . . . . 0.0 111.047 -179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.0 tp -151.15 136.81 17.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.166 -0.925 . . . . 0.0 108.989 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.4 m -96.63 138.94 33.45 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.338 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -134.7 143.18 47.06 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.444 ' HB2' ' HB2' ' A' ' 1' ' ' ASN . 61.2 m -127.17 128.66 46.48 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.768 179.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.71 118.06 9.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.721 0.296 . . . . 0.0 111.258 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.417 0 C-N-CA 121.122 -0.561 . . . . 0.0 113.022 179.742 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.952 0.406 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.46 -166.07 28.79 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.693 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.46 HG23 ' HB3' ' A' ' 10' ' ' CYS . 9.0 p -107.72 139.28 30.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.294 0.569 . . . . 0.0 110.723 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.8 m -125.77 133.14 52.15 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.879 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 18.8 m -103.78 123.92 47.96 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -124.23 -89.27 0.84 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.159 -1.02 . . . . 0.0 113.748 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.87 54.45 0.37 Allowed 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 62.94 23.83 14.22 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.824 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.2 tp -151.15 137.26 18.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.056 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 35.0 m -91.99 137.21 32.55 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.181 0.515 . . . . 0.0 110.522 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -145.73 142.25 28.78 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.441 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -68.36 -55.63 11.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.452 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.29 45.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.968 0.413 . . . . 0.0 111.284 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.326 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.783 179.667 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.425 ' H ' ' C ' ' A' ' 14' ' ' ALA . 63.8 m-80 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . -170.06 143.13 7.65 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.049 -1.072 . . . . 0.0 112.456 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.48 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 18.3 t -89.75 138.73 18.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.2 m -130.18 130.87 45.24 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.762 0.315 . . . . 0.0 110.363 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.583 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 59.7 m -103.02 119.09 38.23 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.028 0.442 . . . . 0.0 109.904 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.5 -117.71 4.36 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.817 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.6 58.08 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.368 0.667 . . . . 0.0 111.946 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt 69.34 34.1 3.01 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.383 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.0 tp -150.57 118.0 6.07 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.945 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.583 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 38.6 m -91.96 130.87 37.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -151.15 144.21 24.63 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.48 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 m -74.53 -39.29 62.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.371 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' A' ' 1' ' ' ASN . . . -156.81 34.78 0.3 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.256 0.55 . . . . 0.0 110.623 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.386 0 CA-C-N 115.307 -0.861 . . . . 0.0 113.133 179.58 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.0 m120 . . . . . 0 N--CA 1.458 -0.058 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.32 -144.53 18.46 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.206 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.3 t -89.59 128.22 41.75 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.006 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.2 m -114.66 119.63 37.37 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.174 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 61.9 m -109.43 127.06 54.11 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -122.11 -107.04 1.94 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.352 -178.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.14 56.7 0.15 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.297 0.639 . . . . 0.0 112.577 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 64.68 28.67 13.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.775 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.4 tp -150.71 127.8 11.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.103 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 55.2 m -95.25 143.36 26.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.347 0.594 . . . . 0.0 111.402 -178.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -133.99 140.14 46.53 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.6 m -107.63 123.35 48.35 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.347 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.54 120.17 12.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.688 0.28 . . . . 0.0 111.276 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 C-N-CA 121.159 -0.543 . . . . 0.0 113.06 179.782 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 47.4 t30 . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.949 0.404 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.587 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . -96.84 153.65 20.4 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.156 179.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 t -98.87 132.98 43.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 120.852 0.358 . . . . 0.0 110.316 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.4 m -128.83 134.29 48.29 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.076 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 57.7 m -103.64 124.36 48.68 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -123.0 -104.4 1.73 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.562 -0.828 . . . . 0.0 113.156 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.67 56.96 0.13 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.442 0.697 . . . . 0.0 112.376 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 63.2 27.08 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.252 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.7 tp -150.35 122.66 8.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.974 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 34.2 m -89.57 132.7 34.96 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.926 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -151.21 157.16 42.28 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.587 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.78 -37.52 59.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.288 -179.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -148.65 38.64 0.85 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.429 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.855 179.574 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 121.18 0.514 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . 174.65 -160.89 30.36 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.549 HG13 ' HB3' ' A' ' 10' ' ' CYS . 14.9 t -110.14 135.55 48.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.806 0.336 . . . . 0.0 110.183 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.9 m -120.38 133.33 55.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.949 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.526 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 35.2 m -104.87 119.15 38.31 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.71 -55.98 2.19 Favored Glycine 0 C--O 1.228 -0.248 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.92 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.411 ' O ' ' HD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -158.16 96.35 1.44 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.919 0.39 . . . . 0.0 110.027 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.5 pttp 51.66 26.06 3.18 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.12 0.968 . . . . 0.0 110.741 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.4 tp -152.59 131.16 12.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.087 -0.96 . . . . 0.0 108.635 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.549 ' HB3' HG13 ' A' ' 3' ' ' VAL . 33.8 m -116.23 142.64 46.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.096 0.474 . . . . 0.0 110.662 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -150.07 144.96 26.09 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.411 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -56.69 7.92 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.473 -177.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.72 43.57 0.09 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.011 0.434 . . . . 0.0 110.979 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.331 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.599 179.889 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -166.36 153.58 23.5 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.938 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.547 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 6.7 p -89.07 137.73 20.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.404 0.621 . . . . 0.0 110.688 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.421 ' N ' HG21 ' A' ' 3' ' ' VAL . 35.9 m -128.37 132.77 48.55 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.747 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.662 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -104.55 133.18 49.85 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -132.81 -91.64 0.49 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.354 -0.927 . . . . 0.0 113.711 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.402 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -72.68 54.61 0.35 Allowed 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp 62.96 24.03 14.33 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.19 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.402 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 58.6 tp -150.72 129.49 12.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.662 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 31.8 m -89.43 137.43 32.33 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.361 -178.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -150.33 145.63 26.26 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.547 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.9 m -68.21 -44.72 75.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.684 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.31 35.15 0.28 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.258 0.552 . . . . 0.0 110.677 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.297 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.928 179.517 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.44 ' H ' ' C ' ' A' ' 14' ' ' ALA . 7.3 p30 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -138.5 148.14 19.72 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 119.894 -1.146 . . . . 0.0 112.445 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 16.1 t -89.05 138.04 20.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.7 p -135.71 139.15 43.42 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 18.8 m -103.0 116.79 33.21 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.068 0.461 . . . . 0.0 110.147 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.71 -110.08 2.98 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.05 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.02 57.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 123.319 0.648 . . . . 0.0 112.192 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.529 ' HZ2' ' HB3' ' A' ' 8' ' ' LYS . 10.1 mtpm? 66.82 31.56 7.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.905 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.2 tp -150.93 127.49 10.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.223 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 30.1 m -91.4 133.78 35.18 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.167 0.508 . . . . 0.0 110.479 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -150.29 148.05 28.39 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.478 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.76 -35.72 67.52 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.153 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.44 ' C ' ' H ' ' A' ' 1' ' ' ASN . . . -154.21 33.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.348 0.594 . . . . 0.0 110.805 179.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.364 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.983 179.569 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 46.4 t30 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 121.005 0.431 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.49 153.69 24.11 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.207 -0.997 . . . . 0.0 112.161 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.543 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 12.2 t -88.61 136.94 22.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.8 m -126.25 129.58 49.21 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 36.2 m -103.56 120.16 40.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -107.34 -110.07 3.42 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.76 -0.655 . . . . 0.0 113.172 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.427 ' HE1' HD21 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -71.1 57.52 0.22 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.164 0.586 . . . . 0.0 112.315 -179.351 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? 66.77 31.92 7.15 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.536 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.427 HD21 ' HE1' ' A' ' 7' ' ' TYR . 59.1 tp -150.64 128.72 11.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.449 -0.796 . . . . 0.0 108.995 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 41.9 m -95.53 133.26 39.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.263 0.554 . . . . 0.0 110.845 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -148.24 135.02 19.98 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.543 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.9 m -69.8 -42.64 73.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.924 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.21 37.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.1 0.476 . . . . 0.0 111.17 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.272 0 CA-C-N 115.688 -0.687 . . . . 0.0 113.029 179.418 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 1.531 HD21 ' CB ' ' A' ' 1' ' ' ASN 0.487 0.0 OUTLIER . . . . . 3 N--CA 1.25 -10.469 2 N-CA-C 126.969 5.915 . . . . 3.85 126.969 . . . . . . . . . 5 3 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.98 -175.47 47.68 Favored Glycine 2 C--N 1.01 -17.558 1 C-N-CA 112.91 -4.471 . . . . 0.78 113.029 -179.878 . . . . . . . . 3 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 1.18 ' CG2' ' CA ' ' A' ' 3' ' ' VAL . 42.9 t -95.29 135.4 29.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 CA-C-O 120.949 0.404 . . . . 1.17 110.386 179.612 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 m -126.25 129.62 49.28 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 116.021 -0.536 . . . . 0.81 110.292 -179.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 60.9 m -104.86 123.82 48.38 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.657 -0.497 . . . . 0.37 109.657 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -117.27 -101.37 2.16 Favored Glycine 0 C--O 1.184 -3.004 0 C-N-CA 120.463 -0.875 . . . . 0.61 113.719 -178.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 1.496 ' CZ ' ' CD1' ' A' ' 7' ' ' TYR . 3.2 p90 -75.5 59.7 1.13 Allowed 'General case' 0 C--N 1.274 -2.704 0 N-CA-C 113.323 0.86 . . . . 1.76 113.323 -179.341 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 1.543 ' CB ' ' CD ' ' A' ' 8' ' ' LYS . 3.5 mttt 62.32 28.88 17.17 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.358 -0.837 . . . . 3.29 110.882 -179.622 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 1.018 HD12 ' CG ' ' A' ' 9' ' ' LEU . 57.4 tp -150.53 128.67 11.92 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 115.432 -0.804 . . . . 1.21 109.409 179.386 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 38.3 m -95.24 136.03 36.09 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 120.984 0.421 . . . . 0.21 110.425 -179.476 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.423 ' CG ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -145.67 147.67 32.23 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 115.86 -0.609 . . . . 2.78 109.884 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 75.9 m -85.99 -39.35 16.96 Favored 'General case' 2 C--O 0.473 -39.773 0 CA-C-O 126.281 2.943 . . . . 1.84 111.178 -179.513 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.5 ' HB3' ' CA ' ' A' ' 14' ' ' ALA 0.592 . . 169.7 43.81 0.0 OUTLIER 'General case' 4 CA--C 1.071 -17.468 4 O-C-N 80.111 -26.618 . . . . 1.89 122.437 179.394 . . . . . . . . 5 3 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 1.336 ' C ' ' CA ' ' A' ' 1' ' ' ASN . . . . . . . . 4 C--O 0.76 -29.507 1 CA-C-O 130.093 5.274 . . . . 3.31 117.156 179.6 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.2 t . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.948 0.404 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 69.2 m -125.93 136.11 52.65 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.08 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 57.4 m -103.48 125.28 49.96 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -124.78 -102.75 1.44 Allowed Glycine 0 C--N 1.321 -0.293 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.856 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.646 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -70.86 59.89 0.23 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.215 0.606 . . . . 0.0 111.862 -179.643 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.646 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 19.6 pttm 56.77 30.62 18.01 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.611 1.164 . . . . 0.0 110.938 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.1 tp -150.74 121.21 7.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.599 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 29.6 m -89.63 133.23 34.73 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.047 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 . . . . . 0 C--N 1.319 -0.729 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.9 t . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.1 p -134.21 121.01 20.75 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.047 0.451 . . . . 0.0 110.251 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.658 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 18.1 m -104.09 124.11 48.46 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.54 -99.32 2.21 Favored Glycine 0 C--N 1.321 -0.284 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.194 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.89 65.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.297 0.639 . . . . 0.0 111.417 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.27 34.31 6.12 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.552 1.141 . . . . 0.0 111.158 -178.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.5 tp -151.63 131.9 13.65 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.566 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.658 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 61.3 m -90.77 134.83 34.14 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.404 0.621 . . . . 0.0 110.792 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 . . . . . 0 C--N 1.316 -0.889 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -179.605 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 121.219 0.533 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.3 m -122.32 119.96 32.64 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.408 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 64.6 m -104.93 120.42 41.41 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -106.28 -117.48 4.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.954 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.43 57.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.233 0.613 . . . . 0.0 111.982 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 69.22 34.87 2.85 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.367 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.3 tp -150.23 122.35 8.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.17 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 42.1 m -98.0 138.31 35.51 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.68 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.1 p80 . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.569 179.713 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.8 m -117.65 120.19 37.26 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.535 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 68.3 m -106.48 129.81 54.38 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -135.69 -99.17 0.57 Allowed Glycine 0 C--N 1.319 -0.403 0 C-N-CA 120.192 -1.004 . . . . 0.0 113.445 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.62 61.92 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 123.299 0.64 . . . . 0.0 111.775 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.7 pttp 51.81 32.63 9.94 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.481 1.112 . . . . 0.0 110.711 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.9 tp -151.62 131.19 13.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.783 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 57.8 m -100.88 136.38 40.83 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.827 0.346 . . . . 0.0 110.285 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.7 p80 . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.856 179.724 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.447 HG12 ' HB3' ' A' ' 10' ' ' CYS . 5.8 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.2 m -121.23 126.29 49.25 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.013 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 25.9 m -103.46 129.12 50.53 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.69 -75.39 0.02 OUTLIER Glycine 0 C--N 1.319 -0.369 0 C-N-CA 119.833 -1.175 . . . . 0.0 114.179 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.65 52.77 0.53 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt 63.0 15.41 8.39 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.684 0.754 . . . . 0.0 110.648 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.3 tp -151.11 143.21 24.02 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.136 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.3 m -92.45 137.33 32.45 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.177 0.513 . . . . 0.0 110.49 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 80.6 t60 . . . . . 0 C--N 1.317 -0.808 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.188 -179.608 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.159 0.505 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.2 m -123.6 121.61 36.04 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.877 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 67.0 m -110.83 122.81 48.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.923 0.392 . . . . 0.0 110.254 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.87 -119.86 4.61 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.064 -0.588 . . . . 0.0 113.017 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.95 58.42 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.099 0.56 . . . . 0.0 112.117 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 69.86 36.09 2.13 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.445 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.5 tp -150.2 124.89 9.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.153 -0.93 . . . . 0.0 108.827 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.4 m -101.8 135.23 43.69 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.389 0.614 . . . . 0.0 111.206 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 80.5 t60 . . . . . 0 C--N 1.318 -0.795 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.082 179.64 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.6 t . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.805 0.336 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.9 m -123.83 133.71 53.74 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 37.5 m -104.14 119.32 38.69 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.953 0.406 . . . . 0.0 110.19 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.05 -115.75 3.81 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.786 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.95 59.36 0.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.186 0.594 . . . . 0.0 111.947 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt 68.29 33.66 4.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.626 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.6 tp -150.71 125.44 9.7 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.317 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 29.7 m -95.74 136.33 36.29 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.306 0.574 . . . . 0.0 110.679 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.0 t60 . . . . . 0 C--N 1.319 -0.756 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.418 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 121.376 0.608 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.9 p -138.28 135.84 35.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.783 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 57.0 m -104.22 121.74 43.93 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -118.85 -101.41 2.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.514 -0.85 . . . . 0.0 113.437 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.5 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -70.36 54.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -179.049 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 2.8 ptpp? 68.04 15.01 9.44 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.427 1.091 . . . . 0.0 110.836 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.4 tp -138.59 131.37 29.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.862 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 35.8 m -93.77 135.21 35.3 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.035 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.1 p80 . . . . . 0 C--N 1.322 -0.591 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.859 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.6 t . . . . . 0 N--CA 1.455 -0.225 0 CA-C-O 120.887 0.375 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 80.7 m -130.79 137.88 49.66 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.752 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 30.2 m -103.04 122.31 44.36 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -116.03 -100.8 2.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.357 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.82 55.81 0.18 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.092 0.557 . . . . 0.0 112.467 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt 64.69 27.57 13.13 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.593 0.711 . . . . 0.0 110.226 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.2 tp -151.2 130.55 12.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.669 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 27.0 m -92.59 134.32 35.11 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.117 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.678 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 46.5 m -129.58 132.2 46.73 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.013 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 45.0 m -103.69 124.09 48.21 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -122.34 -100.96 1.61 Allowed Glycine 0 C--N 1.319 -0.366 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.133 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.41 63.13 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.061 0.544 . . . . 0.0 111.598 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.4 pttp 52.8 33.23 13.72 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.482 1.113 . . . . 0.0 110.812 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.1 tp -151.53 129.37 11.66 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.146 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 41.4 m -95.38 133.88 38.82 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.902 0.382 . . . . 0.0 110.318 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.662 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.705 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.1 t . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 75.5 m -129.33 133.31 47.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.799 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 47.0 m -103.87 120.44 41.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.005 0.431 . . . . 0.0 110.132 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.6 -114.69 3.97 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.69 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.53 59.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.284 0.634 . . . . 0.0 111.815 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 81.9 tttt 66.58 34.57 5.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.766 0.793 . . . . 0.0 109.987 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.5 tp -150.51 122.6 8.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.543 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 32.7 m -95.14 133.62 38.77 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.103 0.477 . . . . 0.0 110.493 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.3 p80 . . . . . 0 C--N 1.321 -0.636 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 121.395 0.617 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.1 m -117.77 118.14 31.24 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.638 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 60.9 m -106.06 131.38 53.41 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -146.27 -84.86 0.06 OUTLIER Glycine 0 C--N 1.32 -0.311 0 C-N-CA 119.713 -1.232 . . . . 0.0 113.945 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.532 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -73.2 58.1 0.51 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.671 0.388 . . . . 0.0 111.988 -179.044 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 17.1 ptpt 54.62 23.29 4.58 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.562 1.145 . . . . 0.0 111.047 -179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.0 tp -151.15 136.81 17.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.166 -0.925 . . . . 0.0 108.989 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.4 m -96.63 138.94 33.45 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.338 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 . . . . . 0 C--N 1.322 -0.615 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.612 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 121.294 0.569 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.8 m -125.77 133.14 52.15 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.879 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 18.8 m -103.78 123.92 47.96 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -124.23 -89.27 0.84 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.159 -1.02 . . . . 0.0 113.748 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.87 54.45 0.37 Allowed 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.019 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 62.94 23.83 14.22 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.824 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.2 tp -151.15 137.26 18.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.056 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 35.0 m -91.99 137.21 32.55 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.181 0.515 . . . . 0.0 110.522 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 . . . . . 0 C--N 1.32 -0.707 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -179.362 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.3 t . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.2 m -130.18 130.87 45.24 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.762 0.315 . . . . 0.0 110.363 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.593 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 59.7 m -103.02 119.09 38.23 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.028 0.442 . . . . 0.0 109.904 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.5 -117.71 4.36 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.817 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.6 58.08 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.368 0.667 . . . . 0.0 111.946 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt 69.34 34.1 3.01 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.383 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.0 tp -150.57 118.0 6.07 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.945 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.593 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 38.6 m -91.96 130.87 37.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 . . . . . 0 C--N 1.318 -0.772 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.713 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.3 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.2 m -114.66 119.63 37.37 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.174 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 61.9 m -109.43 127.06 54.11 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -122.11 -107.04 1.94 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.352 -178.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.14 56.7 0.15 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.297 0.639 . . . . 0.0 112.577 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 64.68 28.67 13.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.775 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.4 tp -150.71 127.8 11.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.103 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 55.2 m -95.25 143.36 26.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.347 0.594 . . . . 0.0 111.402 -178.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 . . . . . 0 C--N 1.322 -0.611 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.615 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 120.852 0.358 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.4 m -128.83 134.29 48.29 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.076 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 57.7 m -103.64 124.36 48.68 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -123.0 -104.4 1.73 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.562 -0.828 . . . . 0.0 113.156 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.67 56.96 0.13 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.442 0.697 . . . . 0.0 112.376 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 63.2 27.08 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.252 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.7 tp -150.35 122.66 8.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.974 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 34.2 m -89.57 132.7 34.96 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.926 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 . . . . . 0 C--N 1.319 -0.756 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -179.866 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.425 HG12 ' HB3' ' A' ' 10' ' ' CYS . 14.9 t . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.806 0.336 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.9 m -120.38 133.33 55.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.949 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 35.2 m -104.87 119.15 38.31 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.71 -55.98 2.19 Favored Glycine 0 C--O 1.228 -0.248 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.92 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.405 ' O ' ' HD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -158.16 96.35 1.44 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.919 0.39 . . . . 0.0 110.027 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.5 pttp 51.66 26.06 3.18 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.12 0.968 . . . . 0.0 110.741 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.4 tp -152.59 131.16 12.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.087 -0.96 . . . . 0.0 108.635 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 33.8 m -116.23 142.64 46.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.096 0.474 . . . . 0.0 110.662 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 85.6 t60 . . . . . 0 C--N 1.32 -0.68 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -179.353 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 121.404 0.621 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.9 m -128.37 132.77 48.55 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.747 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.677 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -104.55 133.18 49.85 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -132.81 -91.64 0.49 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.354 -0.927 . . . . 0.0 113.711 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.413 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -72.68 54.61 0.35 Allowed 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp 62.96 24.03 14.33 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.19 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.413 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 58.6 tp -150.72 129.49 12.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.677 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 31.8 m -89.43 137.43 32.33 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.361 -178.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.605 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.7 p -135.71 139.15 43.42 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.676 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 18.8 m -103.0 116.79 33.21 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.068 0.461 . . . . 0.0 110.147 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.71 -110.08 2.98 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.05 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.02 57.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 123.319 0.648 . . . . 0.0 112.192 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? 66.82 31.56 7.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.905 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.2 tp -150.93 127.49 10.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.223 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.676 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 30.1 m -91.4 133.78 35.18 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.167 0.508 . . . . 0.0 110.479 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.6 t60 . . . . . 0 C--N 1.317 -0.806 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -179.141 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 t . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.8 m -126.25 129.58 49.21 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.635 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 36.2 m -103.56 120.16 40.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -107.34 -110.07 3.42 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.76 -0.655 . . . . 0.0 113.172 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.1 57.52 0.22 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.164 0.586 . . . . 0.0 112.315 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? 66.77 31.92 7.15 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.536 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.1 tp -150.64 128.72 11.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.449 -0.796 . . . . 0.0 108.995 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.635 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 41.9 m -95.53 133.26 39.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.263 0.554 . . . . 0.0 110.845 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 . . . . . 0 C--N 1.317 -0.823 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.681 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 1.18 ' CG2' ' CA ' ' A' ' 3' ' ' VAL . 42.9 t . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 120.949 0.404 . . . . 1.17 110.386 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 m -126.25 129.62 49.28 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 116.021 -0.536 . . . . 0.81 110.292 -179.743 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 60.9 m -104.86 123.82 48.38 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.657 -0.497 . . . . 0.37 109.657 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -117.27 -101.37 2.16 Favored Glycine 0 C--O 1.184 -3.004 0 C-N-CA 120.463 -0.875 . . . . 0.61 113.719 -178.844 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 1.496 ' CZ ' ' CD1' ' A' ' 7' ' ' TYR . 3.2 p90 -75.5 59.7 1.13 Allowed 'General case' 0 C--N 1.274 -2.704 0 N-CA-C 113.323 0.86 . . . . 1.76 113.323 -179.341 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 1.543 ' CB ' ' CD ' ' A' ' 8' ' ' LYS . 3.5 mttt 62.32 28.88 17.17 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.358 -0.837 . . . . 3.29 110.882 -179.622 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.4 tp -150.53 128.67 11.92 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 115.432 -0.804 . . . . 0.61 109.409 179.386 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 38.3 m -95.24 136.03 36.09 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 120.984 0.421 . . . . 0.21 110.425 -179.476 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.658 ' CG ' ' HD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.214 -0.802 0 CA-C-N 115.86 -0.609 . . . . 2.78 109.884 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 121.068 0.461 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.522 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . 175.19 -160.44 29.2 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.2 t -106.93 137.36 38.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.948 0.404 . . . . 0.0 110.339 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 69.2 m -125.93 136.11 52.65 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.08 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 57.4 m -103.48 125.28 49.96 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -124.78 -102.75 1.44 Allowed Glycine 0 C--N 1.321 -0.293 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.856 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.646 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -70.86 59.89 0.23 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.215 0.606 . . . . 0.0 111.862 -179.643 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.646 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 19.6 pttm 56.77 30.62 18.01 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.611 1.164 . . . . 0.0 110.938 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.1 tp -150.74 121.21 7.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.599 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 29.6 m -89.63 133.23 34.73 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.047 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 -151.36 155.85 39.52 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.522 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -54.12 11.2 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.891 -178.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.19 42.9 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.618 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.289 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.602 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 43.6 t30 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 121.029 0.442 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.06 -141.45 12.79 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.316 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.9 t -88.52 137.0 22.0 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.1 p -134.21 121.01 20.75 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.047 0.451 . . . . 0.0 110.251 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.658 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 18.1 m -104.09 124.11 48.46 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.54 -99.32 2.21 Favored Glycine 0 C--N 1.321 -0.284 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.194 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.89 65.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.297 0.639 . . . . 0.0 111.417 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.27 34.31 6.12 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.552 1.141 . . . . 0.0 111.158 -178.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.5 tp -151.63 131.9 13.65 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.566 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.658 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 61.3 m -90.77 134.83 34.14 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.404 0.621 . . . . 0.0 110.792 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -128.47 154.2 46.34 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.4 m -107.91 119.99 41.01 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.685 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.02 129.71 40.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.467 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.987 179.594 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.467 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 50.3 t-20 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.53 0.205 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 128.21 -145.8 16.3 Favored Glycine 0 CA--C 1.506 -0.51 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.192 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 p -89.48 133.11 32.46 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 CA-C-O 121.219 0.533 . . . . 0.0 110.34 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.3 m -122.32 119.96 32.64 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.408 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 64.6 m -104.93 120.42 41.41 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -106.28 -117.48 4.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.954 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.43 57.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.233 0.613 . . . . 0.0 111.982 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 69.22 34.87 2.85 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.367 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.3 tp -150.23 122.35 8.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.17 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 42.1 m -98.0 138.31 35.51 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.68 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -142.71 143.32 32.22 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.569 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 1' ' ' ASN . 64.3 m -117.73 126.72 52.98 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.268 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.53 124.74 22.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.41 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.43 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.674 179.786 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.634 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 8.7 m120 . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 120.767 0.318 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 115.13 -144.21 18.36 Favored Glycine 0 CA--C 1.505 -0.564 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.088 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 t -89.32 130.14 39.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.8 m -117.65 120.19 37.26 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.535 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 68.3 m -106.48 129.81 54.38 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -135.69 -99.17 0.57 Allowed Glycine 0 C--N 1.319 -0.403 0 C-N-CA 120.192 -1.004 . . . . 0.0 113.445 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.62 61.92 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 123.299 0.64 . . . . 0.0 111.775 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.7 pttp 51.81 32.63 9.94 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.481 1.112 . . . . 0.0 110.711 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.9 tp -151.62 131.19 13.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.783 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 57.8 m -100.88 136.38 40.83 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.827 0.346 . . . . 0.0 110.285 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -138.06 140.63 40.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.856 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.634 ' HB2' ' HB2' ' A' ' 1' ' ' ASN . 57.6 m -123.46 127.54 48.54 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.021 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.49 121.5 13.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.412 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-N 115.838 -0.619 . . . . 0.0 113.375 179.739 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.993 0.425 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . -170.44 158.62 30.56 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.49 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.449 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 5.8 t -88.03 133.23 31.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.2 m -121.23 126.29 49.25 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.013 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 25.9 m -103.46 129.12 50.53 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.69 -75.39 0.02 OUTLIER Glycine 0 C--N 1.319 -0.369 0 C-N-CA 119.833 -1.175 . . . . 0.0 114.179 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.65 52.77 0.53 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt 63.0 15.41 8.39 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.684 0.754 . . . . 0.0 110.648 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.3 tp -151.11 143.21 24.02 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.136 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.3 m -92.45 137.33 32.45 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.177 0.513 . . . . 0.0 110.49 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -147.37 134.22 20.14 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.188 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.6 m -66.28 -46.09 78.21 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 123.565 0.541 . . . . 0.0 111.195 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -158.85 37.69 0.22 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.308 0.575 . . . . 0.0 110.868 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.65 179.768 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 47.3 t30 . . . . . 0 C--O 1.228 -0.071 0 CA-C-O 121.001 0.429 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 136.82 -147.56 19.29 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.329 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.4 p -89.28 135.86 24.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-O 121.159 0.505 . . . . 0.0 110.482 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.2 m -123.6 121.61 36.04 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.877 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 67.0 m -110.83 122.81 48.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.923 0.392 . . . . 0.0 110.254 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.87 -119.86 4.61 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.064 -0.588 . . . . 0.0 113.017 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.95 58.42 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.099 0.56 . . . . 0.0 112.117 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 69.86 36.09 2.13 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.445 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.5 tp -150.2 124.89 9.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.153 -0.93 . . . . 0.0 108.827 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.4 m -101.8 135.23 43.69 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.389 0.614 . . . . 0.0 111.206 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -134.38 134.64 41.93 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.082 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 83.3 m -105.45 123.89 48.63 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.525 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.83 127.39 31.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.25 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.409 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.988 179.6 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 121.193 0.52 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.444 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . 174.62 -160.13 29.26 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.264 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.6 t -109.22 137.16 42.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.805 0.336 . . . . 0.0 110.24 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.9 m -123.83 133.71 53.74 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 37.5 m -104.14 119.32 38.69 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.953 0.406 . . . . 0.0 110.19 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.05 -115.75 3.81 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.786 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.95 59.36 0.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.186 0.594 . . . . 0.0 111.947 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt 68.29 33.66 4.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.626 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.6 tp -150.71 125.44 9.7 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.317 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 29.7 m -95.74 136.33 36.29 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.306 0.574 . . . . 0.0 110.679 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -150.39 145.95 26.4 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.444 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -56.38 9.78 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.569 -177.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.62 43.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.099 0.476 . . . . 0.0 110.957 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.224 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.482 179.861 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 121.754 0.788 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.39 137.97 5.19 Favored Glycine 0 CA--C 1.502 -0.781 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.495 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -96.6 144.06 11.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 CA-C-O 121.376 0.608 . . . . 0.0 111.236 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.9 p -138.28 135.84 35.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.783 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 57.0 m -104.22 121.74 43.93 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -118.85 -101.41 2.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.514 -0.85 . . . . 0.0 113.437 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.5 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -70.36 54.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -179.049 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 2.8 ptpp? 68.04 15.01 9.44 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.427 1.091 . . . . 0.0 110.836 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.4 tp -138.59 131.37 29.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.862 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 35.8 m -93.77 135.21 35.3 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.035 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -150.56 164.24 36.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -112.25 -56.06 2.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.71 29.89 4.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.233 0.54 . . . . 0.0 111.184 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.421 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.559 179.839 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.9 p30 . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.759 0.314 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.476 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . -153.93 -170.49 19.99 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.679 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.6 t -106.72 135.22 45.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.887 0.375 . . . . 0.0 110.552 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 80.7 m -130.79 137.88 49.66 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.752 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 30.2 m -103.04 122.31 44.36 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -116.03 -100.8 2.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.357 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.82 55.81 0.18 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.092 0.557 . . . . 0.0 112.467 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt 64.69 27.57 13.13 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.593 0.711 . . . . 0.0 110.226 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.2 tp -151.2 130.55 12.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.669 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 27.0 m -92.59 134.32 35.11 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.117 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.14 165.78 32.84 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.476 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.3 m -65.48 -52.7 50.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.8 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.05 45.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.487 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.771 -179.754 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.729 0.299 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.574 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . -100.49 143.52 16.34 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.259 -0.972 . . . . 0.0 111.524 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.4 t -88.83 133.44 31.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 46.5 m -129.58 132.2 46.73 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.013 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 45.0 m -103.69 124.09 48.21 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -122.34 -100.96 1.61 Allowed Glycine 0 C--N 1.319 -0.366 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.133 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.41 63.13 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.061 0.544 . . . . 0.0 111.598 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.4 pttp 52.8 33.23 13.72 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.482 1.113 . . . . 0.0 110.812 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.1 tp -151.53 129.37 11.66 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.146 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 41.4 m -95.38 133.88 38.82 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.902 0.382 . . . . 0.0 110.318 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.85 151.01 31.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.705 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.574 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.4 -37.47 71.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.037 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.66 41.18 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.067 0.46 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.538 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.471 179.752 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 39.9 t30 . . . . . 0 C--O 1.228 -0.062 0 CA-C-O 121.211 0.529 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . 174.39 -141.82 6.1 Favored Glycine 0 CA--C 1.502 -0.781 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 -179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.1 t -99.36 134.23 39.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 75.5 m -129.33 133.31 47.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.799 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 47.0 m -103.87 120.44 41.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.005 0.431 . . . . 0.0 110.132 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.6 -114.69 3.97 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.69 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.53 59.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.284 0.634 . . . . 0.0 111.815 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 81.9 tttt 66.58 34.57 5.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.766 0.793 . . . . 0.0 109.987 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.5 tp -150.51 122.6 8.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.543 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 32.7 m -95.14 133.62 38.77 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.103 0.477 . . . . 0.0 110.493 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -151.05 159.15 44.71 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.459 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -82.99 -165.62 1.12 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.201 -179.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.39 57.03 1.84 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.727 0.298 . . . . 0.0 111.708 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.421 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.355 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.486 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 7.0 m120 . . . . . 0 N--CA 1.458 -0.074 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.79 -141.3 15.24 Favored Glycine 0 CA--C 1.504 -0.631 0 C-N-CA 120.271 -0.966 . . . . 0.0 111.166 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.2 p -88.99 130.24 38.69 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-O 121.395 0.617 . . . . 0.0 110.623 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.1 m -117.77 118.14 31.24 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.638 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 60.9 m -106.06 131.38 53.41 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -146.27 -84.86 0.06 OUTLIER Glycine 0 C--N 1.32 -0.311 0 C-N-CA 119.713 -1.232 . . . . 0.0 113.945 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.532 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -73.2 58.1 0.51 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.671 0.388 . . . . 0.0 111.988 -179.044 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 17.1 ptpt 54.62 23.29 4.58 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.562 1.145 . . . . 0.0 111.047 -179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.0 tp -151.15 136.81 17.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.166 -0.925 . . . . 0.0 108.989 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.4 m -96.63 138.94 33.45 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.338 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -134.7 143.18 47.06 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 1' ' ' ASN . 61.2 m -127.17 128.66 46.48 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.768 179.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.71 118.06 9.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.721 0.296 . . . . 0.0 111.258 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.417 0 C-N-CA 121.122 -0.561 . . . . 0.0 113.022 179.742 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.952 0.406 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.46 -166.07 28.79 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.693 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.472 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 9.0 p -107.72 139.28 30.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.294 0.569 . . . . 0.0 110.723 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.8 m -125.77 133.14 52.15 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.879 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 18.8 m -103.78 123.92 47.96 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -124.23 -89.27 0.84 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.159 -1.02 . . . . 0.0 113.748 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.87 54.45 0.37 Allowed 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.019 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 62.94 23.83 14.22 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.824 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.2 tp -151.15 137.26 18.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.056 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 35.0 m -91.99 137.21 32.55 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.181 0.515 . . . . 0.0 110.522 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -145.73 142.25 28.78 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.472 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -68.36 -55.63 11.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.452 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.29 45.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.968 0.413 . . . . 0.0 111.284 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.326 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.783 179.667 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.461 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . -170.06 143.13 7.65 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.049 -1.072 . . . . 0.0 112.456 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.492 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 18.3 t -89.75 138.73 18.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.2 m -130.18 130.87 45.24 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.762 0.315 . . . . 0.0 110.363 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.593 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 59.7 m -103.02 119.09 38.23 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.028 0.442 . . . . 0.0 109.904 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.5 -117.71 4.36 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.817 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.6 58.08 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.368 0.667 . . . . 0.0 111.946 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt 69.34 34.1 3.01 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.383 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.0 tp -150.57 118.0 6.07 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.945 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.593 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 38.6 m -91.96 130.87 37.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -151.15 144.21 24.63 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.492 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 m -74.53 -39.29 62.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.371 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.81 34.78 0.3 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.256 0.55 . . . . 0.0 110.623 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.386 0 CA-C-N 115.307 -0.861 . . . . 0.0 113.133 179.58 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.0 m120 . . . . . 0 N--CA 1.458 -0.058 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.32 -144.53 18.46 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.206 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.3 t -89.59 128.22 41.75 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.006 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.2 m -114.66 119.63 37.37 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.174 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 61.9 m -109.43 127.06 54.11 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -122.11 -107.04 1.94 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.352 -178.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.14 56.7 0.15 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.297 0.639 . . . . 0.0 112.577 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 64.68 28.67 13.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.775 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.4 tp -150.71 127.8 11.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.103 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 55.2 m -95.25 143.36 26.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.347 0.594 . . . . 0.0 111.402 -178.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -133.99 140.14 46.53 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.6 m -107.63 123.35 48.35 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.347 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.54 120.17 12.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.688 0.28 . . . . 0.0 111.276 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 C-N-CA 121.159 -0.543 . . . . 0.0 113.06 179.782 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 47.4 t30 . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.949 0.404 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.624 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . -96.84 153.65 20.4 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.156 179.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 t -98.87 132.98 43.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 120.852 0.358 . . . . 0.0 110.316 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.4 m -128.83 134.29 48.29 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.076 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 57.7 m -103.64 124.36 48.68 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -123.0 -104.4 1.73 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.562 -0.828 . . . . 0.0 113.156 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.67 56.96 0.13 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.442 0.697 . . . . 0.0 112.376 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 63.2 27.08 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.252 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.7 tp -150.35 122.66 8.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.974 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 34.2 m -89.57 132.7 34.96 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.926 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -151.21 157.16 42.28 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.624 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.78 -37.52 59.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.288 -179.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -148.65 38.64 0.85 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.429 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.855 179.574 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 121.18 0.514 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . 174.65 -160.89 30.36 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.425 HG12 ' HB3' ' A' ' 10' ' ' CYS . 14.9 t -110.14 135.55 48.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.806 0.336 . . . . 0.0 110.183 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.9 m -120.38 133.33 55.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.949 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 35.2 m -104.87 119.15 38.31 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.71 -55.98 2.19 Favored Glycine 0 C--O 1.228 -0.248 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.92 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.405 ' O ' ' HD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -158.16 96.35 1.44 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.919 0.39 . . . . 0.0 110.027 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.5 pttp 51.66 26.06 3.18 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.12 0.968 . . . . 0.0 110.741 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.4 tp -152.59 131.16 12.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.087 -0.96 . . . . 0.0 108.635 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 33.8 m -116.23 142.64 46.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.096 0.474 . . . . 0.0 110.662 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -150.07 144.96 26.09 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.435 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -56.69 7.92 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.473 -177.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.72 43.57 0.09 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.011 0.434 . . . . 0.0 110.979 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.331 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.599 179.889 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -166.36 153.58 23.5 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.938 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.57 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 6.7 p -89.07 137.73 20.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.404 0.621 . . . . 0.0 110.688 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.9 m -128.37 132.77 48.55 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.747 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.677 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -104.55 133.18 49.85 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -132.81 -91.64 0.49 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.354 -0.927 . . . . 0.0 113.711 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.413 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -72.68 54.61 0.35 Allowed 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp 62.96 24.03 14.33 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.19 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.413 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 58.6 tp -150.72 129.49 12.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.677 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 31.8 m -89.43 137.43 32.33 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.361 -178.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.33 145.63 26.26 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.57 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.9 m -68.21 -44.72 75.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.684 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.31 35.15 0.28 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.258 0.552 . . . . 0.0 110.677 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.297 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.928 179.517 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.3 p30 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -138.5 148.14 19.72 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 119.894 -1.146 . . . . 0.0 112.445 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.481 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 16.1 t -89.05 138.04 20.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.7 p -135.71 139.15 43.42 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.676 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 18.8 m -103.0 116.79 33.21 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.068 0.461 . . . . 0.0 110.147 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.71 -110.08 2.98 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.05 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.02 57.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 123.319 0.648 . . . . 0.0 112.192 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? 66.82 31.56 7.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.905 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.2 tp -150.93 127.49 10.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.223 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.676 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 30.1 m -91.4 133.78 35.18 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.167 0.508 . . . . 0.0 110.479 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -150.29 148.05 28.39 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.481 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.76 -35.72 67.52 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.153 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -154.21 33.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.348 0.594 . . . . 0.0 110.805 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.364 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.983 179.569 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 46.4 t30 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 121.005 0.431 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.49 153.69 24.11 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.207 -0.997 . . . . 0.0 112.161 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.533 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 12.2 t -88.61 136.94 22.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.8 m -126.25 129.58 49.21 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.635 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 36.2 m -103.56 120.16 40.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -107.34 -110.07 3.42 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.76 -0.655 . . . . 0.0 113.172 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.1 57.52 0.22 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.164 0.586 . . . . 0.0 112.315 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? 66.77 31.92 7.15 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.536 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.1 tp -150.64 128.72 11.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.449 -0.796 . . . . 0.0 108.995 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.635 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 41.9 m -95.53 133.26 39.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.263 0.554 . . . . 0.0 110.845 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -148.24 135.02 19.98 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.533 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.9 m -69.8 -42.64 73.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.924 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.21 37.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.1 0.476 . . . . 0.0 111.17 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.272 0 CA-C-N 115.688 -0.687 . . . . 0.0 113.029 179.418 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 1.424 ' OD1' ' CA ' ' A' ' 1' ' ' ASN 0.487 0.0 OUTLIER . . . . . 3 N--CA 1.25 -10.469 2 N-CA-C 126.969 5.915 . . . . 3.3 126.969 . . . . . . . . . 5 3 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.98 -175.47 47.68 Favored Glycine 2 C--N 1.01 -17.558 1 C-N-CA 112.91 -4.471 . . . . 0.78 113.029 -179.878 . . . . . . . . 3 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 1.18 ' CG2' ' CA ' ' A' ' 3' ' ' VAL . 42.9 t -95.29 135.4 29.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 CA-C-O 120.949 0.404 . . . . 1.17 110.386 179.612 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 m -126.25 129.62 49.28 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 116.021 -0.536 . . . . 0.81 110.292 -179.743 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 60.9 m -104.86 123.82 48.38 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.657 -0.497 . . . . 0.37 109.657 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -117.27 -101.37 2.16 Favored Glycine 0 C--O 1.184 -3.004 0 C-N-CA 120.463 -0.875 . . . . 0.61 113.719 -178.844 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 1.496 ' CZ ' ' CD1' ' A' ' 7' ' ' TYR . 3.2 p90 -75.5 59.7 1.13 Allowed 'General case' 0 C--N 1.274 -2.704 0 N-CA-C 113.323 0.86 . . . . 1.76 113.323 -179.341 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 1.543 ' CB ' ' CD ' ' A' ' 8' ' ' LYS . 3.5 mttt 62.32 28.88 17.17 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.358 -0.837 . . . . 3.29 110.882 -179.622 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.4 tp -150.53 128.67 11.92 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 115.432 -0.804 . . . . 0.61 109.409 179.386 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 38.3 m -95.24 136.03 36.09 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 120.984 0.421 . . . . 0.21 110.425 -179.476 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.658 ' CG ' ' HD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -145.67 147.67 32.23 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 115.86 -0.609 . . . . 2.78 109.884 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 75.9 m -85.99 -39.35 16.96 Favored 'General case' 2 C--O 0.473 -39.773 0 CA-C-O 126.281 2.943 . . . . 1.84 111.178 -179.513 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . 0.592 . . 169.7 43.81 0.0 OUTLIER 'General case' 4 CA--C 1.071 -17.468 4 O-C-N 80.111 -26.618 . . . . 1.55 122.437 179.394 . . . . . . . . 4 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 1.336 ' C ' ' CA ' ' A' ' 1' ' ' ASN . . . . . . . . 4 C--O 0.76 -29.507 1 CA-C-O 130.093 5.274 . . . . 3.31 117.156 179.6 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.2 t . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.948 0.404 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 69.2 m -125.93 136.11 52.65 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.08 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 57.4 m -103.48 125.28 49.96 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -124.78 -102.75 1.44 Allowed Glycine 0 C--N 1.321 -0.293 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.856 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.646 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -70.86 59.89 0.23 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.215 0.606 . . . . 0.0 111.862 -179.643 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.646 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 19.6 pttm 56.77 30.62 18.01 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.611 1.164 . . . . 0.0 110.938 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.1 tp -150.74 121.21 7.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.599 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 29.6 m -89.63 133.23 34.73 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.047 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 . . . . . 0 C--N 1.319 -0.729 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.9 t . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.1 p -134.21 121.01 20.75 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.047 0.451 . . . . 0.0 110.251 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.658 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 18.1 m -104.09 124.11 48.46 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.54 -99.32 2.21 Favored Glycine 0 C--N 1.321 -0.284 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.194 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.89 65.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.297 0.639 . . . . 0.0 111.417 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.27 34.31 6.12 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.552 1.141 . . . . 0.0 111.158 -178.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.5 tp -151.63 131.9 13.65 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.566 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.658 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 61.3 m -90.77 134.83 34.14 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.404 0.621 . . . . 0.0 110.792 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 . . . . . 0 C--N 1.316 -0.889 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -179.605 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 121.219 0.533 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.3 m -122.32 119.96 32.64 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.408 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 64.6 m -104.93 120.42 41.41 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -106.28 -117.48 4.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.954 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.43 57.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.233 0.613 . . . . 0.0 111.982 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 69.22 34.87 2.85 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.367 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.3 tp -150.23 122.35 8.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.17 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 42.1 m -98.0 138.31 35.51 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.68 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.1 p80 . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.569 179.713 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.8 m -117.65 120.19 37.26 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.535 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 68.3 m -106.48 129.81 54.38 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -135.69 -99.17 0.57 Allowed Glycine 0 C--N 1.319 -0.403 0 C-N-CA 120.192 -1.004 . . . . 0.0 113.445 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.62 61.92 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 123.299 0.64 . . . . 0.0 111.775 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.7 pttp 51.81 32.63 9.94 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.481 1.112 . . . . 0.0 110.711 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.9 tp -151.62 131.19 13.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.783 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 57.8 m -100.88 136.38 40.83 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.827 0.346 . . . . 0.0 110.285 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.7 p80 . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.856 179.724 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.447 HG12 ' HB3' ' A' ' 10' ' ' CYS . 5.8 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.2 m -121.23 126.29 49.25 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.013 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 25.9 m -103.46 129.12 50.53 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.69 -75.39 0.02 OUTLIER Glycine 0 C--N 1.319 -0.369 0 C-N-CA 119.833 -1.175 . . . . 0.0 114.179 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.65 52.77 0.53 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt 63.0 15.41 8.39 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.684 0.754 . . . . 0.0 110.648 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.3 tp -151.11 143.21 24.02 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.136 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.3 m -92.45 137.33 32.45 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.177 0.513 . . . . 0.0 110.49 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 80.6 t60 . . . . . 0 C--N 1.317 -0.808 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.188 -179.608 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.159 0.505 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.2 m -123.6 121.61 36.04 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.877 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 67.0 m -110.83 122.81 48.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.923 0.392 . . . . 0.0 110.254 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.87 -119.86 4.61 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.064 -0.588 . . . . 0.0 113.017 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.95 58.42 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.099 0.56 . . . . 0.0 112.117 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 69.86 36.09 2.13 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.445 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.5 tp -150.2 124.89 9.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.153 -0.93 . . . . 0.0 108.827 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.4 m -101.8 135.23 43.69 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.389 0.614 . . . . 0.0 111.206 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 80.5 t60 . . . . . 0 C--N 1.318 -0.795 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.082 179.64 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.6 t . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.805 0.336 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.9 m -123.83 133.71 53.74 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 37.5 m -104.14 119.32 38.69 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.953 0.406 . . . . 0.0 110.19 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.05 -115.75 3.81 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.786 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.95 59.36 0.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.186 0.594 . . . . 0.0 111.947 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt 68.29 33.66 4.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.626 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.6 tp -150.71 125.44 9.7 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.317 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 29.7 m -95.74 136.33 36.29 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.306 0.574 . . . . 0.0 110.679 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.0 t60 . . . . . 0 C--N 1.319 -0.756 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.418 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 121.376 0.608 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.9 p -138.28 135.84 35.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.783 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 57.0 m -104.22 121.74 43.93 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -118.85 -101.41 2.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.514 -0.85 . . . . 0.0 113.437 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.5 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -70.36 54.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -179.049 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 2.8 ptpp? 68.04 15.01 9.44 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.427 1.091 . . . . 0.0 110.836 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.4 tp -138.59 131.37 29.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.862 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 35.8 m -93.77 135.21 35.3 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.035 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.1 p80 . . . . . 0 C--N 1.322 -0.591 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.859 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.6 t . . . . . 0 N--CA 1.455 -0.225 0 CA-C-O 120.887 0.375 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 80.7 m -130.79 137.88 49.66 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.752 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 30.2 m -103.04 122.31 44.36 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -116.03 -100.8 2.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.357 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.82 55.81 0.18 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.092 0.557 . . . . 0.0 112.467 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt 64.69 27.57 13.13 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.593 0.711 . . . . 0.0 110.226 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.2 tp -151.2 130.55 12.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.669 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 27.0 m -92.59 134.32 35.11 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.117 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.32 -0.678 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 46.5 m -129.58 132.2 46.73 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.013 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 45.0 m -103.69 124.09 48.21 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -122.34 -100.96 1.61 Allowed Glycine 0 C--N 1.319 -0.366 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.133 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.41 63.13 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.061 0.544 . . . . 0.0 111.598 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.4 pttp 52.8 33.23 13.72 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.482 1.113 . . . . 0.0 110.812 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.1 tp -151.53 129.37 11.66 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.146 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 41.4 m -95.38 133.88 38.82 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.902 0.382 . . . . 0.0 110.318 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.321 -0.662 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.705 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.1 t . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 75.5 m -129.33 133.31 47.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.799 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 47.0 m -103.87 120.44 41.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.005 0.431 . . . . 0.0 110.132 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.6 -114.69 3.97 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.69 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.53 59.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.284 0.634 . . . . 0.0 111.815 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 81.9 tttt 66.58 34.57 5.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.766 0.793 . . . . 0.0 109.987 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.5 tp -150.51 122.6 8.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.543 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 32.7 m -95.14 133.62 38.77 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.103 0.477 . . . . 0.0 110.493 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.3 p80 . . . . . 0 C--N 1.321 -0.636 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 121.395 0.617 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.1 m -117.77 118.14 31.24 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.638 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 60.9 m -106.06 131.38 53.41 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -146.27 -84.86 0.06 OUTLIER Glycine 0 C--N 1.32 -0.311 0 C-N-CA 119.713 -1.232 . . . . 0.0 113.945 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.532 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -73.2 58.1 0.51 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.671 0.388 . . . . 0.0 111.988 -179.044 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 17.1 ptpt 54.62 23.29 4.58 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.562 1.145 . . . . 0.0 111.047 -179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.0 tp -151.15 136.81 17.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.166 -0.925 . . . . 0.0 108.989 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.4 m -96.63 138.94 33.45 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.338 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.0 p80 . . . . . 0 C--N 1.322 -0.615 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.612 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 121.294 0.569 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.8 m -125.77 133.14 52.15 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.879 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 18.8 m -103.78 123.92 47.96 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -124.23 -89.27 0.84 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.159 -1.02 . . . . 0.0 113.748 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.87 54.45 0.37 Allowed 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 62.94 23.83 14.22 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.824 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.2 tp -151.15 137.26 18.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.056 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 35.0 m -91.99 137.21 32.55 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.181 0.515 . . . . 0.0 110.522 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 . . . . . 0 C--N 1.32 -0.707 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -179.362 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.3 t . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.2 m -130.18 130.87 45.24 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.762 0.315 . . . . 0.0 110.363 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.593 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 59.7 m -103.02 119.09 38.23 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.028 0.442 . . . . 0.0 109.904 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.5 -117.71 4.36 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.817 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.6 58.08 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.368 0.667 . . . . 0.0 111.946 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt 69.34 34.1 3.01 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.383 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.0 tp -150.57 118.0 6.07 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.945 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.593 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 38.6 m -91.96 130.87 37.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 . . . . . 0 C--N 1.318 -0.772 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.713 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.3 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.2 m -114.66 119.63 37.37 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.174 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 61.9 m -109.43 127.06 54.11 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -122.11 -107.04 1.94 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.352 -178.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.14 56.7 0.15 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.297 0.639 . . . . 0.0 112.577 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 64.68 28.67 13.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.775 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.4 tp -150.71 127.8 11.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.103 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 55.2 m -95.25 143.36 26.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.347 0.594 . . . . 0.0 111.402 -178.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 . . . . . 0 C--N 1.322 -0.611 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.615 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 120.852 0.358 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.4 m -128.83 134.29 48.29 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.076 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 57.7 m -103.64 124.36 48.68 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -123.0 -104.4 1.73 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.562 -0.828 . . . . 0.0 113.156 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.67 56.96 0.13 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.442 0.697 . . . . 0.0 112.376 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 63.2 27.08 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.252 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.7 tp -150.35 122.66 8.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.974 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 34.2 m -89.57 132.7 34.96 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.926 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 . . . . . 0 C--N 1.319 -0.756 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -179.866 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.425 HG12 ' HB3' ' A' ' 10' ' ' CYS . 14.9 t . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.806 0.336 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.9 m -120.38 133.33 55.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.949 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 35.2 m -104.87 119.15 38.31 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.71 -55.98 2.19 Favored Glycine 0 C--O 1.228 -0.248 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.92 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.405 ' O ' ' HD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -158.16 96.35 1.44 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.919 0.39 . . . . 0.0 110.027 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.5 pttp 51.66 26.06 3.18 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.12 0.968 . . . . 0.0 110.741 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.4 tp -152.59 131.16 12.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.087 -0.96 . . . . 0.0 108.635 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 33.8 m -116.23 142.64 46.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.096 0.474 . . . . 0.0 110.662 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 85.6 t60 . . . . . 0 C--N 1.32 -0.68 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -179.353 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 121.404 0.621 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.9 m -128.37 132.77 48.55 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.747 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.677 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -104.55 133.18 49.85 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -132.81 -91.64 0.49 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.354 -0.927 . . . . 0.0 113.711 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.413 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -72.68 54.61 0.35 Allowed 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp 62.96 24.03 14.33 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.19 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.413 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 58.6 tp -150.72 129.49 12.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.677 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 31.8 m -89.43 137.43 32.33 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.361 -178.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.605 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.7 p -135.71 139.15 43.42 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.676 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 18.8 m -103.0 116.79 33.21 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.068 0.461 . . . . 0.0 110.147 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.71 -110.08 2.98 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.05 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.02 57.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 123.319 0.648 . . . . 0.0 112.192 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? 66.82 31.56 7.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.905 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.2 tp -150.93 127.49 10.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.223 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.676 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 30.1 m -91.4 133.78 35.18 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.167 0.508 . . . . 0.0 110.479 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.6 t60 . . . . . 0 C--N 1.317 -0.806 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -179.141 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 t . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.8 m -126.25 129.58 49.21 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.635 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 36.2 m -103.56 120.16 40.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -107.34 -110.07 3.42 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.76 -0.655 . . . . 0.0 113.172 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.1 57.52 0.22 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.164 0.586 . . . . 0.0 112.315 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? 66.77 31.92 7.15 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.536 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.1 tp -150.64 128.72 11.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.449 -0.796 . . . . 0.0 108.995 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.635 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 41.9 m -95.53 133.26 39.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.263 0.554 . . . . 0.0 110.845 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 . . . . . 0 C--N 1.317 -0.823 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.681 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 1.18 ' CG2' ' CA ' ' A' ' 3' ' ' VAL . 42.9 t . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 120.949 0.404 . . . . 1.17 110.386 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 m -126.25 129.62 49.28 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 116.021 -0.536 . . . . 0.81 110.292 -179.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 60.9 m -104.86 123.82 48.38 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.657 -0.497 . . . . 0.37 109.657 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -117.27 -101.37 2.16 Favored Glycine 0 C--O 1.184 -3.004 0 C-N-CA 120.463 -0.875 . . . . 0.61 113.719 -178.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 1.496 ' CZ ' ' CD1' ' A' ' 7' ' ' TYR . 3.2 p90 -75.5 59.7 1.13 Allowed 'General case' 0 C--N 1.274 -2.704 0 N-CA-C 113.323 0.86 . . . . 1.76 113.323 -179.341 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 1.543 ' CB ' ' CD ' ' A' ' 8' ' ' LYS . 3.5 mttt 62.32 28.88 17.17 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.358 -0.837 . . . . 3.29 110.882 -179.622 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.4 tp -150.53 128.67 11.92 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 115.432 -0.804 . . . . 0.61 109.409 179.386 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 38.3 m -95.24 136.03 36.09 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 120.984 0.421 . . . . 0.21 110.425 -179.476 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.658 ' CG ' ' HD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.214 -0.802 0 CA-C-N 115.86 -0.609 . . . . 2.78 109.884 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 121.068 0.461 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.522 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . 175.19 -160.44 29.2 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.2 t -106.93 137.36 38.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.948 0.404 . . . . 0.0 110.339 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 69.2 m -125.93 136.11 52.65 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.08 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 57.4 m -103.48 125.28 49.96 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -124.78 -102.75 1.44 Allowed Glycine 0 C--N 1.321 -0.293 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.856 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.646 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -70.86 59.89 0.23 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.215 0.606 . . . . 0.0 111.862 -179.643 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.646 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 19.6 pttm 56.77 30.62 18.01 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.611 1.164 . . . . 0.0 110.938 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.1 tp -150.74 121.21 7.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.599 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 29.6 m -89.63 133.23 34.73 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.047 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 -151.36 155.85 39.52 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.522 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -54.12 11.2 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.891 -178.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.19 42.9 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.618 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.289 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.602 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 43.6 t30 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 121.029 0.442 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.06 -141.45 12.79 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.316 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.9 t -88.52 137.0 22.0 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.1 p -134.21 121.01 20.75 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.047 0.451 . . . . 0.0 110.251 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.658 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 18.1 m -104.09 124.11 48.46 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.54 -99.32 2.21 Favored Glycine 0 C--N 1.321 -0.284 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.194 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.89 65.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.297 0.639 . . . . 0.0 111.417 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.27 34.31 6.12 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.552 1.141 . . . . 0.0 111.158 -178.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.5 tp -151.63 131.9 13.65 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.566 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.658 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 61.3 m -90.77 134.83 34.14 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.404 0.621 . . . . 0.0 110.792 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -128.47 154.2 46.34 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.4 m -107.91 119.99 41.01 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.685 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.02 129.71 40.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.467 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.987 179.594 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.467 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.53 0.205 . . . . 0.0 110.764 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 128.21 -145.8 16.3 Favored Glycine 0 CA--C 1.506 -0.51 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.192 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 p -89.48 133.11 32.46 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 CA-C-O 121.219 0.533 . . . . 0.0 110.34 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.3 m -122.32 119.96 32.64 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.408 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 64.6 m -104.93 120.42 41.41 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -106.28 -117.48 4.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.954 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.43 57.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.233 0.613 . . . . 0.0 111.982 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 69.22 34.87 2.85 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.367 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.3 tp -150.23 122.35 8.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.17 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 42.1 m -98.0 138.31 35.51 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.68 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -142.71 143.32 32.22 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.569 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 1' ' ' ASN . 64.3 m -117.73 126.72 52.98 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.268 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.53 124.74 22.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.41 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.43 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.674 179.786 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.634 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 8.7 m120 . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 120.767 0.318 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 115.13 -144.21 18.36 Favored Glycine 0 CA--C 1.505 -0.564 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.088 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 t -89.32 130.14 39.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.8 m -117.65 120.19 37.26 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.535 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 68.3 m -106.48 129.81 54.38 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -135.69 -99.17 0.57 Allowed Glycine 0 C--N 1.319 -0.403 0 C-N-CA 120.192 -1.004 . . . . 0.0 113.445 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.62 61.92 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 123.299 0.64 . . . . 0.0 111.775 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.7 pttp 51.81 32.63 9.94 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.481 1.112 . . . . 0.0 110.711 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.9 tp -151.62 131.19 13.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.783 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 57.8 m -100.88 136.38 40.83 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.827 0.346 . . . . 0.0 110.285 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -138.06 140.63 40.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.856 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.634 ' HB2' ' HB2' ' A' ' 1' ' ' ASN . 57.6 m -123.46 127.54 48.54 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.021 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.49 121.5 13.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.412 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-N 115.838 -0.619 . . . . 0.0 113.375 179.739 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.993 0.425 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . -170.44 158.62 30.56 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.49 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.449 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 5.8 t -88.03 133.23 31.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.2 m -121.23 126.29 49.25 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.013 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 25.9 m -103.46 129.12 50.53 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.69 -75.39 0.02 OUTLIER Glycine 0 C--N 1.319 -0.369 0 C-N-CA 119.833 -1.175 . . . . 0.0 114.179 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.65 52.77 0.53 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt 63.0 15.41 8.39 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.684 0.754 . . . . 0.0 110.648 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.3 tp -151.11 143.21 24.02 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.136 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.3 m -92.45 137.33 32.45 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.177 0.513 . . . . 0.0 110.49 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -147.37 134.22 20.14 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.188 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.6 m -66.28 -46.09 78.21 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 123.565 0.541 . . . . 0.0 111.195 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -158.85 37.69 0.22 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.308 0.575 . . . . 0.0 110.868 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.65 179.768 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 47.3 t30 . . . . . 0 C--O 1.228 -0.071 0 CA-C-O 121.001 0.429 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 136.82 -147.56 19.29 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.329 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.4 p -89.28 135.86 24.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-O 121.159 0.505 . . . . 0.0 110.482 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.2 m -123.6 121.61 36.04 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.877 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 67.0 m -110.83 122.81 48.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.923 0.392 . . . . 0.0 110.254 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.87 -119.86 4.61 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.064 -0.588 . . . . 0.0 113.017 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.95 58.42 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.099 0.56 . . . . 0.0 112.117 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 69.86 36.09 2.13 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.445 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.5 tp -150.2 124.89 9.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.153 -0.93 . . . . 0.0 108.827 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.4 m -101.8 135.23 43.69 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.389 0.614 . . . . 0.0 111.206 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -134.38 134.64 41.93 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.082 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 83.3 m -105.45 123.89 48.63 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.525 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.83 127.39 31.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.25 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.409 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.988 179.6 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 121.193 0.52 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.444 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . 174.62 -160.13 29.26 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.264 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.6 t -109.22 137.16 42.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.805 0.336 . . . . 0.0 110.24 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.9 m -123.83 133.71 53.74 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 37.5 m -104.14 119.32 38.69 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.953 0.406 . . . . 0.0 110.19 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.05 -115.75 3.81 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.786 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.95 59.36 0.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.186 0.594 . . . . 0.0 111.947 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt 68.29 33.66 4.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.626 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.6 tp -150.71 125.44 9.7 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.317 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 29.7 m -95.74 136.33 36.29 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.306 0.574 . . . . 0.0 110.679 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -150.39 145.95 26.4 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.444 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -56.38 9.78 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.569 -177.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.62 43.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.099 0.476 . . . . 0.0 110.957 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.224 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.482 179.861 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 121.754 0.788 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.39 137.97 5.19 Favored Glycine 0 CA--C 1.502 -0.781 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.495 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -96.6 144.06 11.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 CA-C-O 121.376 0.608 . . . . 0.0 111.236 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.9 p -138.28 135.84 35.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.783 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 57.0 m -104.22 121.74 43.93 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -118.85 -101.41 2.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.514 -0.85 . . . . 0.0 113.437 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.5 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -70.36 54.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -179.049 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 2.8 ptpp? 68.04 15.01 9.44 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.427 1.091 . . . . 0.0 110.836 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.4 tp -138.59 131.37 29.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.862 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 35.8 m -93.77 135.21 35.3 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.035 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -150.56 164.24 36.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -112.25 -56.06 2.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.71 29.89 4.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.233 0.54 . . . . 0.0 111.184 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.421 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.559 179.839 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.9 p30 . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.759 0.314 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.476 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . -153.93 -170.49 19.99 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.679 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.6 t -106.72 135.22 45.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.887 0.375 . . . . 0.0 110.552 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 80.7 m -130.79 137.88 49.66 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.752 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 30.2 m -103.04 122.31 44.36 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -116.03 -100.8 2.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.357 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.82 55.81 0.18 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.092 0.557 . . . . 0.0 112.467 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt 64.69 27.57 13.13 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.593 0.711 . . . . 0.0 110.226 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.2 tp -151.2 130.55 12.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.669 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 27.0 m -92.59 134.32 35.11 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.117 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -151.14 165.78 32.84 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.476 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.3 m -65.48 -52.7 50.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.8 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.05 45.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.487 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.771 -179.754 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.729 0.299 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.574 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . -100.49 143.52 16.34 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.259 -0.972 . . . . 0.0 111.524 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.4 t -88.83 133.44 31.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 46.5 m -129.58 132.2 46.73 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.013 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 45.0 m -103.69 124.09 48.21 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -122.34 -100.96 1.61 Allowed Glycine 0 C--N 1.319 -0.366 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.133 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.41 63.13 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.061 0.544 . . . . 0.0 111.598 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.4 pttp 52.8 33.23 13.72 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.482 1.113 . . . . 0.0 110.812 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.1 tp -151.53 129.37 11.66 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.146 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 41.4 m -95.38 133.88 38.82 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.902 0.382 . . . . 0.0 110.318 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -150.85 151.01 31.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.705 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.574 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.4 -37.47 71.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.037 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.66 41.18 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.067 0.46 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.538 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.471 179.752 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 39.9 t30 . . . . . 0 C--O 1.228 -0.062 0 CA-C-O 121.211 0.529 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . 174.39 -141.82 6.1 Favored Glycine 0 CA--C 1.502 -0.781 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 -179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.1 t -99.36 134.23 39.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 75.5 m -129.33 133.31 47.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.799 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 47.0 m -103.87 120.44 41.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.005 0.431 . . . . 0.0 110.132 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.6 -114.69 3.97 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.69 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.53 59.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.284 0.634 . . . . 0.0 111.815 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 81.9 tttt 66.58 34.57 5.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.766 0.793 . . . . 0.0 109.987 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.5 tp -150.51 122.6 8.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.543 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 32.7 m -95.14 133.62 38.77 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.103 0.477 . . . . 0.0 110.493 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -151.05 159.15 44.71 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.459 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -82.99 -165.62 1.12 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.201 -179.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.39 57.03 1.84 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.727 0.298 . . . . 0.0 111.708 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.421 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.355 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.486 ' HB2' ' HB2' ' A' ' 13' ' ' CYS . 7.0 m120 . . . . . 0 N--CA 1.458 -0.074 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.79 -141.3 15.24 Favored Glycine 0 CA--C 1.504 -0.631 0 C-N-CA 120.271 -0.966 . . . . 0.0 111.166 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.2 p -88.99 130.24 38.69 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-O 121.395 0.617 . . . . 0.0 110.623 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.1 m -117.77 118.14 31.24 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.638 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 60.9 m -106.06 131.38 53.41 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -146.27 -84.86 0.06 OUTLIER Glycine 0 C--N 1.32 -0.311 0 C-N-CA 119.713 -1.232 . . . . 0.0 113.945 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.532 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -73.2 58.1 0.51 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.671 0.388 . . . . 0.0 111.988 -179.044 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 17.1 ptpt 54.62 23.29 4.58 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.562 1.145 . . . . 0.0 111.047 -179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.0 tp -151.15 136.81 17.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.166 -0.925 . . . . 0.0 108.989 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.4 m -96.63 138.94 33.45 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.338 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -134.7 143.18 47.06 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 1' ' ' ASN . 61.2 m -127.17 128.66 46.48 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.768 179.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.71 118.06 9.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.721 0.296 . . . . 0.0 111.258 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.417 0 C-N-CA 121.122 -0.561 . . . . 0.0 113.022 179.742 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.952 0.406 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.46 -166.07 28.79 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.693 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.472 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 9.0 p -107.72 139.28 30.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.294 0.569 . . . . 0.0 110.723 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.8 m -125.77 133.14 52.15 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.879 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 18.8 m -103.78 123.92 47.96 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -124.23 -89.27 0.84 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.159 -1.02 . . . . 0.0 113.748 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.87 54.45 0.37 Allowed 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 62.94 23.83 14.22 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.824 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.2 tp -151.15 137.26 18.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.056 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 35.0 m -91.99 137.21 32.55 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.181 0.515 . . . . 0.0 110.522 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -145.73 142.25 28.78 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.472 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -68.36 -55.63 11.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.452 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.29 45.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.968 0.413 . . . . 0.0 111.284 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.326 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.783 179.667 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.461 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . -170.06 143.13 7.65 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.049 -1.072 . . . . 0.0 112.456 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.492 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 18.3 t -89.75 138.73 18.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.2 m -130.18 130.87 45.24 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.762 0.315 . . . . 0.0 110.363 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.593 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 59.7 m -103.02 119.09 38.23 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.028 0.442 . . . . 0.0 109.904 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.5 -117.71 4.36 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.817 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.6 58.08 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.368 0.667 . . . . 0.0 111.946 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt 69.34 34.1 3.01 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.383 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.0 tp -150.57 118.0 6.07 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.945 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.593 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 38.6 m -91.96 130.87 37.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -151.15 144.21 24.63 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.492 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 m -74.53 -39.29 62.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.371 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.81 34.78 0.3 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.256 0.55 . . . . 0.0 110.623 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.386 0 CA-C-N 115.307 -0.861 . . . . 0.0 113.133 179.58 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.0 m120 . . . . . 0 N--CA 1.458 -0.058 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.32 -144.53 18.46 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.206 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.3 t -89.59 128.22 41.75 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.006 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.2 m -114.66 119.63 37.37 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.174 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 61.9 m -109.43 127.06 54.11 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -122.11 -107.04 1.94 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.352 -178.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.14 56.7 0.15 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.297 0.639 . . . . 0.0 112.577 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 64.68 28.67 13.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.775 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.4 tp -150.71 127.8 11.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.103 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 55.2 m -95.25 143.36 26.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.347 0.594 . . . . 0.0 111.402 -178.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -133.99 140.14 46.53 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.6 m -107.63 123.35 48.35 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.347 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.54 120.17 12.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.688 0.28 . . . . 0.0 111.276 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 C-N-CA 121.159 -0.543 . . . . 0.0 113.06 179.782 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 47.4 t30 . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.949 0.404 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.624 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . -96.84 153.65 20.4 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.156 179.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 t -98.87 132.98 43.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 120.852 0.358 . . . . 0.0 110.316 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.4 m -128.83 134.29 48.29 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.076 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 57.7 m -103.64 124.36 48.68 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -123.0 -104.4 1.73 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.562 -0.828 . . . . 0.0 113.156 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.67 56.96 0.13 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.442 0.697 . . . . 0.0 112.376 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 63.2 27.08 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.252 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.7 tp -150.35 122.66 8.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.974 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 34.2 m -89.57 132.7 34.96 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.926 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -151.21 157.16 42.28 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.624 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.78 -37.52 59.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.288 -179.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -148.65 38.64 0.85 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.429 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.855 179.574 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 121.18 0.514 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . 174.65 -160.89 30.36 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.425 HG12 ' HB3' ' A' ' 10' ' ' CYS . 14.9 t -110.14 135.55 48.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.806 0.336 . . . . 0.0 110.183 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.9 m -120.38 133.33 55.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.949 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 35.2 m -104.87 119.15 38.31 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.71 -55.98 2.19 Favored Glycine 0 C--O 1.228 -0.248 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.92 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.405 ' O ' ' HD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -158.16 96.35 1.44 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.919 0.39 . . . . 0.0 110.027 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.5 pttp 51.66 26.06 3.18 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.12 0.968 . . . . 0.0 110.741 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.4 tp -152.59 131.16 12.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.087 -0.96 . . . . 0.0 108.635 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 33.8 m -116.23 142.64 46.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.096 0.474 . . . . 0.0 110.662 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -150.07 144.96 26.09 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.435 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -56.69 7.92 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.473 -177.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.72 43.57 0.09 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.011 0.434 . . . . 0.0 110.979 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.331 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.599 179.889 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -166.36 153.58 23.5 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.938 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.57 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 6.7 p -89.07 137.73 20.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.404 0.621 . . . . 0.0 110.688 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.9 m -128.37 132.77 48.55 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.747 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.677 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -104.55 133.18 49.85 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -132.81 -91.64 0.49 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.354 -0.927 . . . . 0.0 113.711 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.413 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -72.68 54.61 0.35 Allowed 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp 62.96 24.03 14.33 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.19 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.413 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 58.6 tp -150.72 129.49 12.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.677 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 31.8 m -89.43 137.43 32.33 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.361 -178.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -150.33 145.63 26.26 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.57 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.9 m -68.21 -44.72 75.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.684 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.31 35.15 0.28 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.258 0.552 . . . . 0.0 110.677 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.297 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.928 179.517 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.3 p30 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -138.5 148.14 19.72 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 119.894 -1.146 . . . . 0.0 112.445 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.481 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 16.1 t -89.05 138.04 20.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.7 p -135.71 139.15 43.42 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.676 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 18.8 m -103.0 116.79 33.21 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.068 0.461 . . . . 0.0 110.147 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.71 -110.08 2.98 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.05 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.02 57.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 123.319 0.648 . . . . 0.0 112.192 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? 66.82 31.56 7.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.905 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.2 tp -150.93 127.49 10.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.223 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.676 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 30.1 m -91.4 133.78 35.18 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.167 0.508 . . . . 0.0 110.479 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -150.29 148.05 28.39 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.481 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.76 -35.72 67.52 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.153 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -154.21 33.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.348 0.594 . . . . 0.0 110.805 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.364 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.983 179.569 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 46.4 t30 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 121.005 0.431 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.49 153.69 24.11 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.207 -0.997 . . . . 0.0 112.161 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.533 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 12.2 t -88.61 136.94 22.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.8 m -126.25 129.58 49.21 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.635 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 36.2 m -103.56 120.16 40.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -107.34 -110.07 3.42 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.76 -0.655 . . . . 0.0 113.172 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.1 57.52 0.22 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.164 0.586 . . . . 0.0 112.315 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? 66.77 31.92 7.15 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.536 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.1 tp -150.64 128.72 11.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.449 -0.796 . . . . 0.0 108.995 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.635 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 41.9 m -95.53 133.26 39.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.263 0.554 . . . . 0.0 110.845 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -148.24 135.02 19.98 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.533 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.9 m -69.8 -42.64 73.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.924 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.21 37.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.1 0.476 . . . . 0.0 111.17 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.272 0 CA-C-N 115.688 -0.687 . . . . 0.0 113.029 179.418 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 1.424 ' OD1' ' CA ' ' A' ' 1' ' ' ASN 0.487 0.0 OUTLIER . . . . . 3 N--CA 1.25 -10.469 2 N-CA-C 126.969 5.915 . . . . 3.3 126.969 . . . . . . . . . 5 3 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.98 -175.47 47.68 Favored Glycine 2 C--N 1.01 -17.558 1 C-N-CA 112.91 -4.471 . . . . 0.78 113.029 -179.878 . . . . . . . . 3 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 1.18 ' CG2' ' CA ' ' A' ' 3' ' ' VAL . 42.9 t -95.29 135.4 29.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 CA-C-O 120.949 0.404 . . . . 1.17 110.386 179.612 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 m -126.25 129.62 49.28 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 116.021 -0.536 . . . . 0.81 110.292 -179.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 60.9 m -104.86 123.82 48.38 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.657 -0.497 . . . . 0.37 109.657 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -117.27 -101.37 2.16 Favored Glycine 0 C--O 1.184 -3.004 0 C-N-CA 120.463 -0.875 . . . . 0.61 113.719 -178.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 1.496 ' CZ ' ' CD1' ' A' ' 7' ' ' TYR . 3.2 p90 -75.5 59.7 1.13 Allowed 'General case' 0 C--N 1.274 -2.704 0 N-CA-C 113.323 0.86 . . . . 1.76 113.323 -179.341 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 1.543 ' CB ' ' CD ' ' A' ' 8' ' ' LYS . 3.5 mttt 62.32 28.88 17.17 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.358 -0.837 . . . . 3.29 110.882 -179.622 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.4 tp -150.53 128.67 11.92 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 115.432 -0.804 . . . . 0.61 109.409 179.386 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 38.3 m -95.24 136.03 36.09 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 120.984 0.421 . . . . 0.21 110.425 -179.476 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.658 ' CG ' ' HD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -145.67 147.67 32.23 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 115.86 -0.609 . . . . 2.78 109.884 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 75.9 m -85.99 -39.35 16.96 Favored 'General case' 2 C--O 0.473 -39.773 0 CA-C-O 126.281 2.943 . . . . 1.84 111.178 -179.513 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . 0.592 . . 169.7 43.81 0.0 OUTLIER 'General case' 4 CA--C 1.071 -17.468 4 O-C-N 80.111 -26.618 . . . . 1.55 122.437 179.394 . . . . . . . . 4 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 1.336 ' C ' ' CA ' ' A' ' 1' ' ' ASN . . . . . . . . 4 C--O 0.76 -29.507 1 CA-C-O 130.093 5.274 . . . . 3.31 117.156 179.6 . . . . . . . . 3 2 . 1 stop_ save_