data_1bzg_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 1bzg _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.502 HG21 ' N ' ' A' ' 3' ' ' SER . 2.6 p . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 121.267 0.556 . . . . 0.0 109.641 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.502 ' N ' HG21 ' A' ' 2' ' ' VAL . 1.3 p -105.25 -173.72 2.37 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.215 -0.928 . . . . 0.0 109.384 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -81.87 -68.67 0.68 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.253 -0.905 . . . . 0.0 109.409 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -46.77 -28.3 1.49 Allowed 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.316 -0.865 . . . . 0.0 109.933 -179.808 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -48.9 172.52 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 178.854 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.452 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER 69.16 -69.88 0.15 Allowed 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 106.43 -1.693 . . . . 0.0 106.43 -177.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.541 ' N ' ' O ' ' A' ' 6' ' ' GLN . 1.9 tp -64.01 -32.8 74.47 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 176.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.616 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 11.9 t-80 -98.69 45.21 1.01 Allowed 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.6 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.55 ' O ' ' N ' ' A' ' 12' ' ' GLY . 8.7 t0 -25.77 -47.11 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.931 -0.481 . . . . 0.0 110.965 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 9' ' ' HIS . 2.3 mmtm -43.92 93.41 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.438 -0.789 . . . . 0.0 109.134 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . 151.11 -36.16 0.89 Allowed Glycine 0 N--CA 1.487 2.058 0 N-CA-C 108.809 -1.716 . . . . 0.0 108.809 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' A' ' 12' ' ' GLY . 12.6 mmtt . . . . . 0 N--CA 1.485 1.293 0 O-C-N 121.296 -1.12 . . . . 0.0 109.919 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -49.59 -27.53 4.63 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 177.65 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -66.83 -49.16 66.65 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.188 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.62 ' HA ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -65.68 -11.86 48.65 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.763 0.792 . . . . 0.0 109.049 179.67 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -31.61 53.89 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 176.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.556 ' O ' ' N ' ' A' ' 26' ' ' HIS . 25.4 m-85 -92.46 -22.78 19.41 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 177.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.62 ' CD1' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -18.67 -75.94 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.441 0 CA-C-O 121.537 0.684 . . . . 0.0 110.677 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mp -73.32 -35.28 66.03 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 22' ' ' PHE . 5.2 t60 -56.46 -31.97 64.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.903 . . . . 0.0 109.141 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.7 t60 . . . . . 0 C--N 1.307 -1.258 0 O-C-N 121.321 -0.862 . . . . 0.0 110.285 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 p -49.63 138.43 14.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.219 -0.925 . . . . 0.0 109.458 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.1 tt0 -85.06 -39.4 18.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.31 -0.869 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -43.49 -39.21 3.23 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.456 -0.778 . . . . 0.0 109.758 -179.686 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -45.43 159.45 0.06 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.166 -0.959 . . . . 0.0 108.619 179.493 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.4 OUTLIER 75.3 -50.02 0.64 Allowed 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.14 -0.975 . . . . 0.0 109.691 -179.555 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 8' ' ' LEU . 14.3 tp -64.44 -8.9 15.15 Favored 'General case' 0 C--N 1.309 -1.154 0 O-C-N 120.949 -1.094 . . . . 0.0 109.985 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.549 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 10.2 m170 -78.5 -38.41 40.84 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 122.958 1.361 . . . . 0.0 107.715 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.474 ' HB3' ' O ' ' A' ' 7' ' ' LEU . 1.6 t70 -37.25 93.17 0.01 OUTLIER 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.577 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -48.2 110.52 0.34 Allowed 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.066 -1.021 . . . . 0.0 108.973 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 148.27 -35.93 1.13 Allowed Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.467 -1.853 . . . . 0.0 108.467 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' A' ' 12' ' ' GLY . 6.5 mmtt . . . . . 0 C--N 1.305 -1.352 0 O-C-N 121.51 -0.994 . . . . 0.0 109.389 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.591 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 14.0 tp -49.76 -27.66 5.2 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 177.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -70.4 -43.58 69.73 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 177.565 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.637 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -77.66 -23.46 49.65 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.274 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -62.26 -30.43 71.11 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 104.375 -2.454 . . . . 0.0 104.375 175.732 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.591 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 21.6 m-85 -92.17 -28.65 16.93 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 177.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.637 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -22.62 -73.97 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.412 0 CA-C-O 121.602 0.715 . . . . 0.0 110.562 -179.397 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.45 -38.93 88.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.506 -0.747 . . . . 0.0 109.199 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -55.36 -45.2 76.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.251 -0.905 . . . . 0.0 109.451 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.7 t60 . . . . . 0 C--N 1.304 -1.404 0 O-C-N 121.135 -0.978 . . . . 0.0 110.527 -179.914 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 121.116 0.484 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -116.84 167.16 11.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.187 -0.946 . . . . 0.0 109.686 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -92.45 -53.77 4.07 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.352 -0.843 . . . . 0.0 109.446 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.477 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.9 OUTLIER -45.26 -53.43 8.37 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.467 -0.771 . . . . 0.0 109.965 -179.553 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -45.32 162.37 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.498 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.517 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.4 OUTLIER 76.83 -49.39 0.55 Allowed 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.148 -0.97 . . . . 0.0 109.431 -179.335 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.477 ' HB3' ' O ' ' A' ' 5' ' ' HIS . 5.0 tp -63.99 -37.78 88.69 Favored 'General case' 0 C--N 1.313 -1.005 0 O-C-N 120.804 -1.185 . . . . 0.0 109.46 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.539 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 10.6 m170 -82.94 -35.98 25.56 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 122.993 1.378 . . . . 0.0 107.848 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.557 ' HA ' ' CD ' ' A' ' 13' ' ' LYS . 0.8 OUTLIER -55.37 -20.62 12.43 Favored 'General case' 0 C--N 1.282 -2.356 0 CA-C-N 114.024 -1.444 . . . . 0.0 110.223 179.688 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.61 3.72 10.9 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.281 -0.887 . . . . 0.0 109.449 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -114.14 -1.53 23.67 Favored Glycine 0 N--CA 1.486 1.967 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.557 ' CD ' ' HA ' ' A' ' 10' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.483 1.192 0 O-C-N 121.006 -1.291 . . . . 0.0 109.815 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.512 ' OD1' ' CD ' ' A' ' 20' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.577 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -49.72 -29.44 7.57 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 177.36 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.542 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -64.16 -49.81 70.62 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.348 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.651 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 5.1 ptm180 -67.5 -33.0 74.19 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -53.55 -29.21 35.93 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 176.31 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 21.9 m-85 -97.3 -27.3 14.57 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.651 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -21.76 -66.43 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.437 0 CA-C-O 121.483 0.659 . . . . 0.0 110.713 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mp -78.29 -40.67 36.17 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.468 -0.77 . . . . 0.0 109.523 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -58.49 -28.21 65.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.08 -1.013 . . . . 0.0 109.282 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.545 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.307 -1.264 0 O-C-N 121.191 -0.943 . . . . 0.0 109.928 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.455 HG21 ' N ' ' A' ' 3' ' ' SER . 7.3 p . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.455 ' N ' HG21 ' A' ' 2' ' ' VAL . 60.3 p -95.58 135.25 37.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.23 -0.919 . . . . 0.0 109.433 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -54.76 -32.0 59.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.323 -0.861 . . . . 0.0 109.69 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.411 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -58.09 -11.75 2.83 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.384 -0.823 . . . . 0.0 110.655 -179.161 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.2 32.87 0.61 Allowed 'General case' 0 N--CA 1.485 1.284 0 O-C-N 120.914 -1.116 . . . . 0.0 110.148 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.422 HD22 ' HB2' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -119.77 -69.95 0.82 Allowed 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 179.438 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.509 ' CD1' ' N ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -56.46 -43.23 79.35 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.079 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.609 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -44.05 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.525 0.679 . . . . 0.0 109.695 178.391 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.609 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 7.3 t70 -63.55 -14.18 48.7 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.47 -0.768 . . . . 0.0 110.108 -178.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 10' ' ' ASP . 4.0 tmtp? 38.35 28.54 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.498 -0.751 . . . . 0.0 110.417 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . -144.0 11.25 2.09 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.489 ' HG2' ' HB3' ' A' ' 10' ' ' ASP . 5.4 mmtp . . . . . 0 C--N 1.305 -1.351 0 O-C-N 121.382 -1.069 . . . . 0.0 110.078 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.587 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -49.61 -28.81 6.19 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 105.663 -1.977 . . . . 0.0 105.663 177.018 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -69.1 -58.95 3.39 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.821 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.589 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 9.1 ptm180 -59.76 -18.59 44.4 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 17' ' ' ASP . 1.6 mtm-85 -70.65 -31.27 68.13 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 105.458 -2.053 . . . . 0.0 105.458 176.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 23.5 m-85 -95.68 -20.12 19.17 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 177.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.589 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -21.45 -79.59 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.479 0 CA-C-O 121.71 0.767 . . . . 0.0 110.302 -179.134 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.99 -32.74 73.35 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 22' ' ' PHE . 5.5 t-160 -57.61 -41.04 80.47 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 118.864 -1.135 . . . . 0.0 109.073 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.4 t60 . . . . . 0 C--N 1.306 -1.288 0 O-C-N 121.239 -0.913 . . . . 0.0 110.079 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.448 HG21 ' N ' ' A' ' 3' ' ' SER . 6.8 p . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 121.22 0.534 . . . . 0.0 109.81 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.448 ' N ' HG21 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -136.55 175.14 9.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.306 -0.871 . . . . 0.0 109.285 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.404 ' N ' ' OG ' ' A' ' 3' ' ' SER . 3.3 tp10 -73.91 -59.57 2.66 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.207 -0.933 . . . . 0.0 109.505 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.486 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.5 OUTLIER -48.57 -25.41 1.71 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.246 -0.909 . . . . 0.0 109.865 -179.714 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -48.66 172.1 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 179.039 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 70.95 -66.96 0.27 Allowed 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 -178.304 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 6' ' ' GLN . 2.0 tp -69.38 -34.97 75.32 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 176.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 11.4 t-80 -80.26 5.52 14.45 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.818 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.552 ' O ' ' C ' ' A' ' 11' ' ' LYS . 4.6 t70 21.5 -94.53 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.373 0 O-C-N 122.219 -0.3 . . . . 0.0 111.578 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER 22.9 87.55 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 121.043 0.449 . . . . 0.0 110.892 179.783 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 136.33 -29.45 2.8 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.471 ' HB2' ' OD1' ' A' ' 10' ' ' ASP . 7.2 mmmt . . . . . 0 CA--C 1.491 -1.313 0 O-C-N 121.659 -0.907 . . . . 0.0 109.25 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.471 ' C ' ' N ' ' A' ' 19' ' ' ARG . 53.1 m-20 . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 17' ' ' ASP . 42.5 tp -48.48 -26.92 2.37 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 177.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -71.67 -48.89 44.49 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.457 177.849 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.639 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -63.2 -12.57 29.22 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.21 -0.996 . . . . 0.0 109.044 -179.72 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.04 -33.9 63.9 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 176.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.535 ' O ' ' C ' ' A' ' 23' ' ' PHE . 55.4 m-85 -91.31 -21.83 20.85 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.639 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -23.47 -77.32 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.339 0 CA-C-O 121.64 0.733 . . . . 0.0 110.141 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.48 -38.72 91.99 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' PHE . 7.9 t60 -52.67 -40.76 63.18 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.051 -1.03 . . . . 0.0 109.011 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.9 t60 . . . . . 0 C--N 1.305 -1.339 0 O-C-N 121.242 -0.911 . . . . 0.0 110.09 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 2' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 121.338 0.589 . . . . 0.0 110.176 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -51.47 168.2 0.08 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.328 -0.858 . . . . 0.0 109.282 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -72.52 -64.26 0.99 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.233 -0.917 . . . . 0.0 109.608 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -48.62 -20.68 0.48 Allowed 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.35 -0.844 . . . . 0.0 110.279 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.475 ' O ' ' HA ' ' A' ' 10' ' ' ASP . 1.1 mt-30 -84.52 18.29 2.35 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.024 -1.048 . . . . 0.0 110.32 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -94.21 -66.73 0.9 Allowed 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 178.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.423 ' HA ' HD11 ' A' ' 8' ' ' LEU . 6.2 tp -62.74 -45.09 94.32 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 177.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.662 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 8.3 t-160 -88.2 38.42 0.85 Allowed 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 121.722 0.772 . . . . 0.0 109.245 178.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.501 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 13.4 t70 -40.06 88.98 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.188 -0.945 . . . . 0.0 110.625 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 9' ' ' HIS . 2.5 tptt -53.7 100.46 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.992 -1.068 . . . . 0.0 109.175 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.07 -13.61 0.47 Allowed Glycine 0 N--CA 1.491 2.358 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.314 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.501 ' HD2' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.327 0 O-C-N 120.969 -1.312 . . . . 0.0 109.142 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.508 ' OD2' ' NE ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.517 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 13.5 tp -51.47 -26.77 8.82 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 105.701 -1.962 . . . . 0.0 105.701 177.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -66.94 -48.09 69.66 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.624 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -63.47 -33.51 75.72 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.078 -1.049 . . . . 0.0 108.362 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.428 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -53.33 -29.52 34.33 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 176.555 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.568 ' O ' ' N ' ' A' ' 26' ' ' HIS . 22.5 m-85 -95.2 -28.93 14.79 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 177.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.624 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -20.95 -60.04 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.429 0 CA-C-O 121.685 0.755 . . . . 0.0 110.328 -179.448 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 mt -76.78 -46.02 26.68 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 22' ' ' PHE . 3.6 m-70 -62.52 -14.04 37.39 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.053 -1.029 . . . . 0.0 109.378 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.568 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.8 t60 . . . . . 0 C--N 1.303 -1.427 0 O-C-N 121.4 -0.812 . . . . 0.0 110.437 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 121.268 0.556 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.466 ' HB2' ' HB2' ' A' ' 6' ' ' GLN . 86.0 p -74.91 154.51 38.15 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.211 -0.931 . . . . 0.0 109.297 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 5' ' ' HIS . 1.1 tt0 -54.14 -97.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.177 -0.952 . . . . 0.0 109.726 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.562 ' ND1' ' NE2' ' A' ' 9' ' ' HIS . 1.0 OUTLIER -82.82 -28.21 30.35 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.188 -0.945 . . . . 0.0 109.931 -179.546 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.486 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 1.6 mm100 -43.62 163.46 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.298 -0.877 . . . . 0.0 108.788 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 73.11 -52.05 0.71 Allowed 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.986 -1.071 . . . . 0.0 109.434 -179.371 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.483 HD13 ' HD3' ' A' ' 21' ' ' ARG . 30.1 tp -64.02 -29.84 70.96 Favored 'General case' 0 C--N 1.309 -1.157 0 O-C-N 120.794 -1.191 . . . . 0.0 109.924 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.573 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 10.0 m170 -99.68 -30.7 11.95 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 122.656 1.217 . . . . 0.0 108.011 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.468 ' HB3' ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -33.26 104.2 0.03 OUTLIER 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 114.406 -1.27 . . . . 0.0 110.958 178.528 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -62.43 111.24 1.94 Allowed 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.129 -0.982 . . . . 0.0 109.678 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.21 -18.29 3.51 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 7' ' ' LEU . 1.4 mmtp . . . . . 0 CA--C 1.481 -1.698 0 O-C-N 121.811 -0.817 . . . . 0.0 109.621 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.479 ' C ' ' N ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.542 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 1.6 mm? -46.68 -27.85 1.31 Allowed 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 177.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -66.63 -54.01 27.97 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 177.736 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.617 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 2.7 ptm180 -57.82 -30.66 65.91 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.591 -0.844 . . . . 0.0 109.257 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.483 ' HD3' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -58.43 -29.79 66.4 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 105.506 -2.035 . . . . 0.0 105.506 176.652 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.547 ' O ' ' C ' ' A' ' 23' ' ' PHE . 26.8 m-85 -96.51 -23.57 16.49 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.617 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -22.71 -78.74 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.501 0 CA-C-O 121.525 0.678 . . . . 0.0 110.148 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.8 mp -64.64 -37.47 87.7 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.511 -0.743 . . . . 0.0 109.061 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 22' ' ' PHE . 2.1 t-160 -54.76 -43.36 72.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.143 -0.973 . . . . 0.0 109.209 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--N 1.305 -1.343 0 O-C-N 121.37 -0.832 . . . . 0.0 110.038 179.754 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 3' ' ' SER . 37.9 t . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.167 0.508 . . . . 0.0 109.783 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -46.1 119.48 2.31 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.287 -0.883 . . . . 0.0 109.1 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 6' ' ' GLN . 9.0 tm-20 -53.67 -43.52 68.93 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 0.0 109.483 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.55 ' CE1' HD22 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -45.29 -22.87 0.14 Allowed 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.39 -0.819 . . . . 0.0 110.331 -179.48 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 8' ' ' LEU . 4.2 mm-40 -47.67 171.8 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.458 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 69.48 -70.22 0.15 Allowed 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 -177.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.55 HD22 ' CE1' ' A' ' 5' ' ' HIS . 4.0 tp -65.63 -31.49 72.54 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 176.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.61 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 10.7 t-160 -98.22 41.37 1.13 Allowed 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.731 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 9' ' ' HIS . 9.1 t0 -30.02 147.61 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 121.281 0.562 . . . . 0.0 110.569 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.05 30.93 0.65 Allowed 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.113 -0.992 . . . . 0.0 109.97 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.452 ' O ' ' HD3' ' A' ' 13' ' ' LYS . . . -137.66 11.35 3.72 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.452 ' HD3' ' O ' ' A' ' 12' ' ' GLY . 24.8 mmtp . . . . . 0 C--N 1.306 -1.291 0 O-C-N 121.351 -1.088 . . . . 0.0 110.435 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.485 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 3.0 t70 . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.599 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 2.7 mt -54.07 -33.75 58.31 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 177.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.553 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -57.03 -41.13 78.02 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 114.606 -1.179 . . . . 0.0 108.134 178.002 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.638 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -84.37 -26.0 28.71 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.521 ' HB2' ' HA ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -65.94 -29.51 69.93 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 104.723 -2.325 . . . . 0.0 104.723 175.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.599 ' CZ ' ' CD2' ' A' ' 18' ' ' LEU . 19.3 m-85 -95.73 -21.18 18.33 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.638 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -24.11 -69.05 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.315 0 CA-C-O 121.523 0.678 . . . . 0.0 110.54 -179.372 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.5 HD23 ' HB3' ' A' ' 23' ' ' PHE . 1.3 mm? -75.43 -37.23 60.54 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.552 -0.717 . . . . 0.0 109.434 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -67.19 -12.73 60.82 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.042 -1.036 . . . . 0.0 110.248 -179.412 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.571 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.305 -1.336 0 O-C-N 121.025 -1.047 . . . . 0.0 110.904 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.518 HG21 ' N ' ' A' ' 3' ' ' SER . 3.4 p . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.204 0.526 . . . . 0.0 109.749 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.518 ' N ' HG21 ' A' ' 2' ' ' VAL . 8.1 t -77.86 173.95 11.56 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.252 -0.905 . . . . 0.0 109.338 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 5' ' ' HIS . 1.0 OUTLIER -71.24 -71.06 0.28 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.24 -0.913 . . . . 0.0 109.302 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -44.21 -34.13 1.78 Allowed 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.275 -0.891 . . . . 0.0 109.535 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.518 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -44.92 160.53 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.435 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.518 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER 74.47 -51.66 0.68 Allowed 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.098 -1.001 . . . . 0.0 109.625 -179.683 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.514 ' CD1' ' O ' ' A' ' 8' ' ' LEU . 6.8 tp -64.88 -14.22 58.95 Favored 'General case' 0 C--N 1.311 -1.101 0 O-C-N 120.859 -1.15 . . . . 0.0 110.0 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.514 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 11.3 m170 -70.61 -28.97 65.25 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 122.801 1.286 . . . . 0.0 107.731 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.0 OUTLIER -39.62 -28.98 0.05 OUTLIER 'General case' 0 C--N 1.283 -2.32 0 CA-C-N 114.246 -1.343 . . . . 0.0 110.113 178.031 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -42.69 91.37 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.53 -0.731 . . . . 0.0 109.519 -179.553 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . 163.42 -28.22 0.23 Allowed Glycine 0 N--CA 1.485 1.953 0 N-CA-C 108.459 -1.856 . . . . 0.0 108.459 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 12' ' ' GLY . 66.4 mmtt . . . . . 0 C--N 1.308 -1.222 0 O-C-N 121.536 -0.979 . . . . 0.0 109.836 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.207 -1.179 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.58 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -50.5 -29.52 10.7 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 105.724 -1.954 . . . . 0.0 105.724 177.173 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.507 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.5 ttm-85 -67.83 -63.33 1.08 Allowed 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.68 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 21.7 ttm-85 -55.74 -33.93 64.71 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 17' ' ' ASP . 0.7 OUTLIER -52.14 -34.66 45.56 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 105.337 -2.097 . . . . 0.0 105.337 176.771 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.602 ' O ' ' N ' ' A' ' 26' ' ' HIS . 23.7 m-85 -90.17 -28.13 19.11 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 177.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.68 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -11.27 -75.9 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.387 0 CA-C-O 121.508 0.67 . . . . 0.0 111.367 -179.19 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.86 -31.82 31.38 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.575 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.1 m170 -63.47 -21.78 66.51 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.155 -0.965 . . . . 0.0 109.18 179.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.602 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.1 t60 . . . . . 0 N--CA 1.481 1.084 0 O-C-N 121.084 -1.01 . . . . 0.0 110.422 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.453 HG21 ' N ' ' A' ' 3' ' ' SER . 2.7 p . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 121.313 0.578 . . . . 0.0 109.641 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -87.59 146.61 25.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.206 -0.934 . . . . 0.0 109.449 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.6 tm-20 -61.66 -65.92 0.62 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.246 -0.908 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.47 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -43.51 -38.45 2.9 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.382 -0.824 . . . . 0.0 109.641 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 1.2 mm-40 -45.51 159.09 0.07 Allowed 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.148 -0.97 . . . . 0.0 108.691 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.513 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER 75.35 -51.84 0.65 Allowed 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.182 -0.948 . . . . 0.0 109.577 -179.696 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 2.5 tm? -61.03 -18.65 58.93 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 120.929 -1.107 . . . . 0.0 109.744 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.555 ' O ' ' N ' ' A' ' 11' ' ' LYS . 12.0 m170 -64.29 -69.95 0.25 Allowed 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.592 ' O ' ' C ' ' A' ' 11' ' ' LYS . 4.3 t0 28.02 -88.27 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.596 176.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.4 OUTLIER 1.37 83.95 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.324 0 CA-C-O 121.374 0.607 . . . . 0.0 111.591 179.62 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.74 -21.04 2.18 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 108.416 -1.874 . . . . 0.0 108.416 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt . . . . . 0 CA--C 1.482 -1.635 0 O-C-N 121.761 -0.847 . . . . 0.0 109.075 178.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.525 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 6.4 t0 . . . . . 0 N--CA 1.486 1.35 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.568 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -47.63 -27.27 1.8 Allowed 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 177.095 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -71.9 -54.49 9.87 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.811 177.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.631 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 8.1 ptm180 -57.35 -30.36 64.76 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.152 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.453 ' NE ' HD12 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -58.42 -28.59 65.39 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 105.637 -1.986 . . . . 0.0 105.637 176.571 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 21.8 m-85 -97.35 -23.79 15.95 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.631 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -24.98 -75.81 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.408 0 CA-C-O 121.501 0.667 . . . . 0.0 110.413 -179.494 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.6 -45.09 76.48 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.488 -0.758 . . . . 0.0 109.003 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -48.24 -28.31 2.98 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.107 -0.996 . . . . 0.0 108.794 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.7 t60 . . . . . 0 C--N 1.306 -1.31 0 O-C-N 121.299 -0.876 . . . . 0.0 109.991 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.511 ' O ' ' O ' ' A' ' 3' ' ' SER . 7.2 p . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.511 ' O ' ' O ' ' A' ' 2' ' ' VAL . 4.9 p 39.5 98.82 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.616 -0.678 . . . . 0.0 110.587 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 3' ' ' SER . 23.6 tt0 -40.28 -44.24 1.87 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.458 -0.776 . . . . 0.0 109.73 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.475 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -45.58 -31.62 1.94 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.37 -0.831 . . . . 0.0 109.707 -179.83 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 1.8 mm100 -44.94 161.14 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.215 -0.928 . . . . 0.0 108.744 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.5 OUTLIER 74.16 -52.35 0.69 Allowed 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.088 -1.008 . . . . 0.0 109.617 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.475 ' HB3' ' O ' ' A' ' 5' ' ' HIS . 33.4 tp -59.69 -29.64 68.24 Favored 'General case' 0 C--N 1.311 -1.068 0 O-C-N 121.027 -1.046 . . . . 0.0 109.825 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' A' ' 11' ' ' LYS . 11.9 m170 -68.76 -62.26 1.46 Allowed 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.21 -0.932 . . . . 0.0 108.504 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.1 t70 28.67 -87.4 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.822 176.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.56 ' N ' ' O ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -40.96 95.58 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.717 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . 132.95 -25.63 3.68 Favored Glycine 0 N--CA 1.484 1.851 0 N-CA-C 108.601 -1.799 . . . . 0.0 108.601 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp . . . . . 0 N--CA 1.487 1.378 0 O-C-N 121.495 -1.003 . . . . 0.0 108.793 178.823 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 20' ' ' ARG . 41.9 m-20 . . . . . 0 N--CA 1.484 1.256 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.586 HD21 ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -49.22 -28.26 4.43 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 177.362 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -67.76 -44.44 77.48 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.84 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.659 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -69.98 -33.19 71.75 Favored 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 119.076 -1.05 . . . . 0.0 108.872 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -54.92 -27.97 47.24 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 176.333 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.586 ' CE2' HD21 ' A' ' 18' ' ' LEU . 20.5 m-85 -96.37 -26.92 15.17 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.659 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -24.45 -82.37 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.512 0 CA-C-O 121.588 0.709 . . . . 0.0 110.182 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.449 HD22 ' HB3' ' A' ' 23' ' ' PHE . 4.3 mt -58.18 -47.55 83.04 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.0 t-160 -44.27 -34.32 1.88 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.393 -0.817 . . . . 0.0 108.907 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.304 -1.409 0 O-C-N 121.436 -0.79 . . . . 0.0 110.156 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 121.196 0.522 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.0 t -117.04 -174.97 2.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 109.534 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 5' ' ' HIS . 0.8 OUTLIER -78.18 -61.38 2.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.346 -0.846 . . . . 0.0 109.718 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.503 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -40.43 -41.56 1.43 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.594 -0.691 . . . . 0.0 110.223 -179.361 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -47.19 160.64 0.09 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.909 -1.119 . . . . 0.0 108.539 179.454 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.515 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 75.64 -50.97 0.63 Allowed 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.151 -0.968 . . . . 0.0 109.753 -179.694 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.503 ' HB3' ' O ' ' A' ' 5' ' ' HIS . 2.8 tp -56.83 -30.58 63.9 Favored 'General case' 0 C--N 1.31 -1.133 0 O-C-N 120.766 -1.208 . . . . 0.0 108.994 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.519 ' O ' ' C ' ' A' ' 10' ' ' ASP . 11.9 m170 -62.87 -61.25 2.53 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.519 ' C ' ' O ' ' A' ' 9' ' ' HIS . 3.0 t0 25.55 89.61 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.762 175.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -43.61 99.89 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.199 -0.938 . . . . 0.0 109.383 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 151.39 -35.02 0.89 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.371 -1.491 . . . . 0.0 109.371 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 12' ' ' GLY . 53.9 mmtt . . . . . 0 N--CA 1.486 1.342 0 O-C-N 121.368 -1.078 . . . . 0.0 110.166 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.542 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 9.3 tp -50.74 -27.21 6.68 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 177.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.521 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -66.66 -44.58 81.49 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 177.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.595 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -72.98 -5.81 41.19 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.02 -35.84 36.71 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 103.922 -2.622 . . . . 0.0 103.922 175.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.542 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 29.7 m-85 -86.34 -24.27 25.9 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 176.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.595 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -20.91 -73.88 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.316 0 CA-C-O 121.476 0.655 . . . . 0.0 110.596 179.765 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mt -69.99 -38.32 75.98 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.4 t-160 -54.57 -44.92 73.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.242 -0.912 . . . . 0.0 109.034 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.1 t60 . . . . . 0 C--N 1.307 -1.274 0 O-C-N 121.265 -0.897 . . . . 0.0 109.601 179.545 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.512 HG11 ' N ' ' A' ' 3' ' ' SER . 1.5 p . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 121.299 0.571 . . . . 0.0 109.956 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.512 ' N ' HG11 ' A' ' 2' ' ' VAL . 13.4 t -80.8 113.19 18.84 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.995 -1.066 . . . . 0.0 109.414 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 5' ' ' HIS . 80.6 tt0 -69.49 -37.53 77.25 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.372 -0.83 . . . . 0.0 109.657 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.483 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -42.24 -26.91 0.12 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.42 -0.8 . . . . 0.0 110.088 -179.307 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -50.07 174.86 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 178.65 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER 68.55 -67.01 0.22 Allowed 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -178.271 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 6' ' ' GLN . 9.0 tp -66.66 -32.41 73.71 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 176.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.634 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 9.3 t-160 -93.76 38.07 1.07 Allowed 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.584 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 9' ' ' HIS . 54.9 t0 -33.33 92.37 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.426 -0.797 . . . . 0.0 110.574 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HG2' ' CE1' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -63.41 116.91 5.98 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.257 -0.902 . . . . 0.0 109.706 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.63 -26.14 3.2 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.485 -1.536 0 O-C-N 121.515 -0.991 . . . . 0.0 108.776 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.502 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 21.0 m-20 . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.564 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.5 OUTLIER -47.61 -27.01 1.66 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 177.154 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -72.25 -52.01 18.33 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.911 -1.041 . . . . 0.0 108.983 178.158 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.619 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 7.7 ptm180 -59.36 -32.89 70.53 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 119.154 -1.018 . . . . 0.0 109.293 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -28.84 57.66 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 176.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 23.1 m-85 -96.96 -24.89 15.61 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.619 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -23.11 -78.61 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.525 0 CA-C-O 121.385 0.612 . . . . 0.0 110.203 -179.828 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 25' ' ' HIS . 0.8 OUTLIER -63.08 -38.83 92.75 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.01 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 22' ' ' PHE . 3.0 t60 -44.31 -37.16 3.13 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 C--N 1.305 -1.349 0 O-C-N 121.635 -0.666 . . . . 0.0 109.645 179.202 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 121.32 0.581 . . . . 0.0 109.849 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 t -139.94 148.97 42.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 0.0 109.346 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 22.8 tt0 -65.72 -56.42 12.14 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.261 -0.9 . . . . 0.0 109.632 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.453 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 0.4 OUTLIER -47.95 -22.13 0.54 Allowed 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.285 -0.884 . . . . 0.0 110.012 -179.513 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 10' ' ' ASP . 0.5 OUTLIER -84.86 21.53 1.56 Allowed 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.16 -0.962 . . . . 0.0 110.481 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -102.0 -66.7 0.91 Allowed 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 178.21 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.577 ' CD1' ' N ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -61.51 -44.6 96.77 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 177.115 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.644 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 7.4 t-160 -93.96 44.21 1.12 Allowed 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.476 ' HA ' ' O ' ' A' ' 6' ' ' GLN . 2.8 t70 -39.07 92.34 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.336 -0.852 . . . . 0.0 110.455 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' A' ' 9' ' ' HIS . 3.0 tmtt? -63.76 103.63 0.58 Allowed 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.328 -0.858 . . . . 0.0 109.109 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.57 -15.53 2.68 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HG2' ' OD1' ' A' ' 10' ' ' ASP . 0.0 OUTLIER . . . . . 0 CA--C 1.481 -1.702 0 O-C-N 121.62 -0.929 . . . . 0.0 109.17 179.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.482 1.159 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.576 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 49.1 tp -49.49 -26.82 3.68 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -65.2 -44.52 88.11 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 177.704 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.625 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -71.82 -15.5 62.15 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.49 -33.05 68.92 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 104.756 -2.312 . . . . 0.0 104.756 176.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.611 ' O ' ' N ' ' A' ' 26' ' ' HIS . 24.7 m-85 -93.53 -20.61 20.09 Favored 'General case' 0 C--O 1.203 -1.35 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 177.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.625 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -23.88 -54.61 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.344 0 CA-C-O 121.557 0.694 . . . . 0.0 110.617 -179.498 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.6 mt -94.45 -26.65 16.39 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.412 -0.805 . . . . 0.0 108.968 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 22' ' ' PHE . 7.0 t60 -76.48 -21.54 55.69 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.309 -0.869 . . . . 0.0 109.684 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.611 ' N ' ' O ' ' A' ' 22' ' ' PHE . 2.1 t60 . . . . . 0 C--N 1.308 -1.234 0 O-C-N 121.228 -0.92 . . . . 0.0 110.733 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.481 ' O ' ' O ' ' A' ' 3' ' ' SER . 4.9 p . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.481 ' O ' ' O ' ' A' ' 2' ' ' VAL . 5.1 p 38.53 97.04 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.56 -0.713 . . . . 0.0 110.763 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 5' ' ' HIS . 53.4 tt0 -43.36 -47.4 6.81 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.215 -0.928 . . . . 0.0 109.815 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.484 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -42.19 -31.27 0.36 Allowed 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.442 -0.786 . . . . 0.0 110.236 -179.209 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 5.0 mm100 -49.07 172.85 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER 71.93 -66.71 0.29 Allowed 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 -178.233 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 6' ' ' GLN . 2.4 tp -71.41 -37.35 71.51 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 177.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.513 ' O ' ' C ' ' A' ' 10' ' ' ASP . 12.1 t-80 -71.49 -5.16 31.02 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.935 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' A' ' 9' ' ' HIS . 4.2 t0 28.07 79.85 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.243 0.544 . . . . 0.0 111.64 178.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -46.9 -25.13 0.71 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.13 -0.981 . . . . 0.0 108.875 179.225 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.587 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . -178.21 -28.68 0.04 OUTLIER Glycine 0 N--CA 1.491 2.301 0 C-N-CA 119.886 -1.149 . . . . 0.0 110.276 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.587 ' O ' ' O ' ' A' ' 12' ' ' GLY . 41.2 mmtt . . . . . 0 N--CA 1.487 1.398 0 O-C-N 121.589 -0.948 . . . . 0.0 111.752 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 20' ' ' ARG . 5.7 m-20 . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.587 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 1.6 pp -47.24 -29.01 2.14 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 177.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.8 ttm180 -69.15 -53.28 20.94 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 114.355 -1.293 . . . . 0.0 107.91 176.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.629 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 6.5 ptm180 -67.43 -35.36 79.1 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.73 -27.9 31.1 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 176.452 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 12.6 m-30 -97.06 -27.24 14.68 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.629 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -22.16 -76.12 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.475 0 CA-C-O 121.502 0.668 . . . . 0.0 110.394 -179.797 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mt -66.92 -42.2 85.77 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.426 -0.796 . . . . 0.0 108.862 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.8 OUTLIER -48.42 -39.19 21.78 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.235 -0.915 . . . . 0.0 108.747 179.496 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.7 t60 . . . . . 0 C--N 1.305 -1.338 0 O-C-N 121.487 -0.758 . . . . 0.0 109.931 179.713 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.524 HG21 ' N ' ' A' ' 3' ' ' SER . 13.3 p . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 121.371 0.605 . . . . 0.0 109.565 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.524 ' N ' HG21 ' A' ' 2' ' ' VAL . 14.7 p -56.57 177.66 0.07 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.411 -0.805 . . . . 0.0 109.56 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 6' ' ' GLN . 7.8 tt0 -103.45 -35.39 8.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.236 -0.915 . . . . 0.0 109.541 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.478 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -40.76 -28.37 0.07 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.584 -0.698 . . . . 0.0 109.959 -179.476 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -46.94 168.5 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.049 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.8 OUTLIER 68.01 -69.16 0.15 Allowed 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.668 -1.27 . . . . 0.0 107.673 -178.457 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 6' ' ' GLN . 17.6 tp -61.36 -52.93 62.57 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 177.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.486 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 0.7 OUTLIER -42.7 -68.97 0.15 Allowed 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.155 178.264 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.486 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 8.8 t0 -94.29 68.08 3.58 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.554 -0.716 . . . . 0.0 109.807 -179.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ASP . 3.2 tttt -44.2 -37.36 3.13 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.082 -1.011 . . . . 0.0 109.23 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.639 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 159.9 36.88 0.02 OUTLIER Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.639 ' O ' ' O ' ' A' ' 12' ' ' GLY . 39.3 mmtm . . . . . 0 N--CA 1.506 2.372 0 CA-C-O 121.993 0.901 . . . . 0.0 112.18 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.519 ' OD2' ' NH2' ' A' ' 21' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.583 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -49.47 -29.11 6.12 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 177.119 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -68.41 -49.65 58.47 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.712 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.598 ' HA ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -73.32 -10.68 60.01 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.696 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.519 ' NH2' ' OD2' ' A' ' 17' ' ' ASP . 1.0 OUTLIER -76.15 -34.3 59.39 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 104.443 -2.428 . . . . 0.0 104.443 176.154 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 25.5 m-85 -90.42 -23.94 20.9 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.598 ' CD1' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -17.48 -76.25 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.327 0 CA-C-O 121.319 0.58 . . . . 0.0 111.087 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.505 HD11 ' N ' ' A' ' 24' ' ' LEU . 10.0 mp -78.09 -29.4 49.02 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.326 -0.859 . . . . 0.0 108.996 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -65.87 -22.12 66.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.255 -0.903 . . . . 0.0 109.547 179.726 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.583 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.4 t60 . . . . . 0 C--N 1.309 -1.183 0 O-C-N 121.173 -0.955 . . . . 0.0 110.371 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 121.269 0.557 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.08 124.54 19.68 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.195 -0.941 . . . . 0.0 109.321 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.1 tt0 -72.77 -26.5 61.56 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.259 -0.901 . . . . 0.0 109.215 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.534 ' HB3' ' NE2' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -42.82 -28.88 0.28 Allowed 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.426 -0.796 . . . . 0.0 109.979 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.505 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 3.0 mt-30 -42.62 158.41 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.348 -0.845 . . . . 0.0 109.069 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER 76.01 -49.58 0.6 Allowed 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.303 -0.873 . . . . 0.0 109.734 -179.704 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 8' ' ' LEU . 9.5 tp -65.82 -9.77 31.7 Favored 'General case' 0 C--N 1.311 -1.101 0 O-C-N 120.905 -1.122 . . . . 0.0 110.205 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.557 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 10.6 m170 -80.15 -32.17 38.9 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-O 122.814 1.292 . . . . 0.0 108.053 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.464 ' OD1' ' HG2' ' A' ' 13' ' ' LYS . 10.2 t0 -39.33 92.53 0.01 OUTLIER 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 114.336 -1.302 . . . . 0.0 110.204 178.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 9' ' ' HIS . 6.2 ttmm -68.83 -4.49 16.4 Favored 'General case' 0 C--N 1.307 -1.256 0 O-C-N 121.301 -0.874 . . . . 0.0 109.478 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.588 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 140.96 -4.35 2.37 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.588 ' O ' ' O ' ' A' ' 12' ' ' GLY . 20.0 mmtt . . . . . 0 N--CA 1.483 1.204 0 O-C-N 121.661 -0.905 . . . . 0.0 111.684 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 21' ' ' ARG . 70.8 m-20 . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.586 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 5.5 tp -50.31 -27.76 6.72 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 105.174 -2.158 . . . . 0.0 105.174 176.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.544 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -74.65 -56.15 5.12 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.518 -1.219 . . . . 0.0 108.124 177.767 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.651 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 1.8 ptm180 -63.64 -25.47 68.23 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.214 -0.994 . . . . 0.0 108.696 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -61.37 -30.73 70.71 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 105.031 -2.211 . . . . 0.0 105.031 176.382 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 17.0 m-85 -95.59 -23.58 16.99 Favored 'General case' 0 C--N 1.309 -1.196 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.651 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -27.27 -82.23 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.472 0 CA-C-O 121.66 0.743 . . . . 0.0 110.035 -179.68 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.88 -46.23 74.72 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -49.14 -38.23 24.56 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.079 -1.013 . . . . 0.0 108.835 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 22' ' ' PHE . 3.2 t60 . . . . . 0 C--N 1.302 -1.478 0 O-C-N 121.616 -0.678 . . . . 0.0 110.077 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.52 ' O ' ' O ' ' A' ' 3' ' ' SER . 11.7 p . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.52 ' O ' ' O ' ' A' ' 2' ' ' VAL . 1.2 p 40.51 101.5 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.637 0.732 . . . . 0.0 110.787 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 3' ' ' SER . 14.2 tt0 -43.01 -34.46 1.0 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.103 -0.998 . . . . 0.0 109.412 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.473 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.7 OUTLIER -50.03 -19.81 0.81 Allowed 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.343 -0.848 . . . . 0.0 110.011 -179.643 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -47.25 170.24 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.146 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER 69.81 -67.47 0.23 Allowed 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -178.286 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 6' ' ' GLN . 12.9 tp -59.61 -44.58 93.38 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 176.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.565 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 1.3 t-80 -48.58 -76.03 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 114.627 -1.17 . . . . 0.0 110.225 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.565 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 13.1 t0 -80.69 -45.68 16.76 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.483 -0.76 . . . . 0.0 110.366 -178.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.538 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 44.08 23.08 0.05 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.347 -0.846 . . . . 0.0 110.751 179.575 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.577 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 110.16 -28.16 10.76 Favored Glycine 0 N--CA 1.491 2.306 0 C-N-CA 119.694 -1.241 . . . . 0.0 110.139 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.577 ' O ' ' O ' ' A' ' 12' ' ' GLY . 21.3 mmtp . . . . . 0 N--CA 1.486 1.347 0 O-C-N 121.623 -0.928 . . . . 0.0 111.683 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.444 ' C ' ' N ' ' A' ' 19' ' ' ARG . 9.2 t0 . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.62 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 9.2 tp -50.4 -27.43 6.35 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 177.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.519 ' HG2' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -67.54 -61.67 1.78 Allowed 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.189 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.668 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -62.2 -28.02 69.38 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 178.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.515 ' HB2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -54.43 -34.51 61.55 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 104.638 -2.356 . . . . 0.0 104.638 176.189 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.62 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 20.9 m-85 -89.41 -28.63 19.62 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 176.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.668 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -13.58 -78.34 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.555 0 CA-C-O 121.625 0.726 . . . . 0.0 111.136 -178.869 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.79 -36.89 62.5 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -53.5 -31.86 47.86 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.303 -0.873 . . . . 0.0 108.826 179.265 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 22' ' ' PHE . 4.6 t60 . . . . . 0 C--N 1.31 -1.114 0 O-C-N 121.275 -0.891 . . . . 0.0 110.159 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.52 HG21 ' N ' ' A' ' 3' ' ' SER . 12.4 p . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 121.31 0.576 . . . . 0.0 109.685 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.52 ' N ' HG21 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -125.96 157.95 36.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.894 . . . . 0.0 109.27 179.828 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.4 tt0 -78.44 -64.44 1.17 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.155 -0.966 . . . . 0.0 109.628 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.467 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -42.3 -35.23 0.94 Allowed 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.374 -0.829 . . . . 0.0 109.97 -179.491 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 2.6 mt-30 -46.3 163.12 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.01 -1.056 . . . . 0.0 108.293 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER 73.08 -52.56 0.71 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.062 -1.024 . . . . 0.0 109.765 -179.693 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 8' ' ' LEU . 9.5 tp -61.37 -19.6 62.05 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 120.893 -1.129 . . . . 0.0 109.815 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.541 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 9.9 m170 -81.13 -30.41 34.53 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.794 1.283 . . . . 0.0 107.902 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.564 ' OD2' ' CG ' ' A' ' 13' ' ' LYS . 1.9 t70 -90.98 12.59 19.19 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.785 -178.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.53 ' NZ ' ' CB ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -73.73 42.62 0.14 Allowed 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.997 -1.064 . . . . 0.0 110.105 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.607 ' HA2' ' CB ' ' A' ' 17' ' ' ASP . . . -161.87 15.84 0.15 Allowed Glycine 0 N--CA 1.479 1.565 0 C-N-CA 119.095 -1.526 . . . . 0.0 111.035 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.564 ' CG ' ' OD2' ' A' ' 10' ' ' ASP . 8.1 mmtt . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.009 -1.289 . . . . 0.0 112.055 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.607 ' CB ' ' HA2' ' A' ' 12' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--O 1.205 -1.259 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.599 ' HG ' ' CZ ' ' A' ' 22' ' ' PHE . 4.7 tp -45.91 -29.04 1.26 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 106.152 -1.795 . . . . 0.0 106.152 177.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' PHE . 3.2 ttm-85 -68.62 -51.45 42.11 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.676 -1.147 . . . . 0.0 107.933 177.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.656 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -72.83 -29.16 63.0 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.511 ' HB2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -58.28 -32.31 68.3 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 104.719 -2.326 . . . . 0.0 104.719 176.28 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.599 ' CZ ' ' HG ' ' A' ' 18' ' ' LEU . 14.0 m-30 -92.51 -25.98 18.15 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.656 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -18.55 -77.33 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.509 0 CA-C-O 121.602 0.715 . . . . 0.0 110.712 -179.651 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp -70.82 -36.63 73.03 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.514 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -57.23 -24.95 58.08 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.068 -1.02 . . . . 0.0 109.067 179.742 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.543 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.5 t60 . . . . . 0 C--N 1.304 -1.379 0 O-C-N 121.4 -0.813 . . . . 0.0 110.429 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.35 158.92 28.64 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.277 -0.889 . . . . 0.0 109.652 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' HIS . 30.4 tt0 -97.69 -59.79 1.7 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.268 -0.895 . . . . 0.0 109.47 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.559 ' O ' ' N ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -42.78 -27.68 0.19 Allowed 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.364 -0.835 . . . . 0.0 110.023 -179.761 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -45.65 167.54 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.405 179.63 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.471 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 70.81 -63.32 0.42 Allowed 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 -178.404 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 6' ' ' GLN . 10.8 tp -75.24 -30.71 60.59 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.559 ' N ' ' O ' ' A' ' 5' ' ' HIS . 6.6 t-80 -59.29 -34.44 72.28 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.137 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.599 ' O ' ' N ' ' A' ' 12' ' ' GLY . 5.1 t0 26.87 -89.04 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.239 0 CA-C-O 120.774 0.321 . . . . 0.0 111.555 178.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -40.69 89.83 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . 145.52 -31.89 1.64 Allowed Glycine 0 N--CA 1.481 1.66 0 N-CA-C 106.381 -2.687 . . . . 0.0 106.381 -178.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' O ' ' OD2' ' A' ' 17' ' ' ASP . 0.2 OUTLIER . . . . . 0 CA--C 1.479 -1.788 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 176.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.569 ' CB ' ' NH2' ' A' ' 21' ' ' ARG . 7.7 m-20 . . . . . 0 N--CA 1.483 1.196 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.533 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 14.0 tp -46.89 -28.24 1.52 Allowed 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 177.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -65.89 -55.31 17.64 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 177.64 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.628 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 5.8 ptp180 -61.28 -14.0 23.14 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.585 -0.846 . . . . 0.0 108.875 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.569 ' NH2' ' CB ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -73.37 -31.01 63.67 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 104.967 -2.234 . . . . 0.0 104.967 176.134 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.533 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 20.4 m-85 -94.28 -22.97 18.04 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.628 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -22.35 -78.21 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.323 0 CA-C-O 121.678 0.751 . . . . 0.0 110.393 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -41.99 88.21 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -50.54 -35.86 31.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.218 -0.927 . . . . 0.0 109.419 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.5 t60 . . . . . 0 C--N 1.305 -1.368 0 O-C-N 121.187 -0.946 . . . . 0.0 110.281 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 121.266 0.555 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.446 ' OG ' ' HG3' ' A' ' 6' ' ' GLN . 38.4 p -54.52 117.52 3.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.366 -0.834 . . . . 0.0 109.575 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.468 ' O ' ' O ' ' A' ' 5' ' ' HIS . 13.3 tt0 -57.61 -71.47 0.1 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.403 -0.81 . . . . 0.0 109.711 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.517 ' O ' ' O ' ' A' ' 6' ' ' GLN . 2.6 m-70 -42.24 -95.61 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.46 -0.775 . . . . 0.0 110.767 -179.481 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.793 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER 42.22 -160.08 0.01 OUTLIER 'General case' 0 C--O 1.205 -1.265 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -177.813 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 6' ' ' GLN . 1.8 mt 39.49 -79.5 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.068 0 CA-C-N 119.342 0.974 . . . . 0.0 109.647 178.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.793 ' N ' ' O ' ' A' ' 6' ' ' GLN . 2.3 tp -64.6 -42.33 95.64 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.757 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.588 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 8.2 t-80 -79.25 4.62 14.5 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.013 179.545 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.542 ' C ' ' O ' ' A' ' 9' ' ' HIS . 5.3 t0 20.48 55.14 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.811 0.815 . . . . 0.0 111.419 178.88 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 9' ' ' HIS . 1.4 tttt -62.02 -34.19 75.75 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.8 -1.187 . . . . 0.0 109.141 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 13' ' ' LYS . . . -169.42 37.41 0.2 Allowed Glycine 0 N--CA 1.48 1.568 0 N-CA-C 106.902 -2.479 . . . . 0.0 106.902 179.75 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER . . . . . 0 CA--C 1.479 -1.761 0 O-C-N 122.147 -0.619 . . . . 0.0 110.328 179.456 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 20' ' ' ARG . 1.1 m-20 . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.514 HD23 ' NH2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -48.2 -27.18 2.28 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 177.355 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -70.12 -48.26 58.28 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 177.55 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.623 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -62.21 -16.72 55.08 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.554 -0.858 . . . . 0.0 109.157 -179.8 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.514 ' NH2' HD23 ' A' ' 18' ' ' LEU . 2.7 mpp_? -72.4 -29.93 64.19 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 176.732 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.533 ' O ' ' C ' ' A' ' 23' ' ' PHE . 33.7 m-85 -96.02 -21.59 17.9 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.453 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.623 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -22.65 -75.74 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.377 0 CA-C-O 121.621 0.724 . . . . 0.0 109.939 179.727 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -66.13 -42.65 88.85 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.862 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.7 t60 -45.28 -38.93 6.04 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.243 -0.91 . . . . 0.0 108.709 179.283 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' PHE . 4.4 t60 . . . . . 0 C--N 1.306 -1.31 0 O-C-N 121.478 -0.764 . . . . 0.0 110.544 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 121.16 0.505 . . . . 0.0 109.674 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 6.5 t -141.36 147.87 38.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.633 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -74.77 -60.68 2.17 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.258 -0.901 . . . . 0.0 109.455 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.501 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -51.15 -19.33 1.12 Allowed 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.388 -0.82 . . . . 0.0 110.12 -179.895 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER -49.56 175.21 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.785 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 6' ' ' GLN . 2.6 mt 68.48 -68.71 0.17 Allowed 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -178.427 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' A' ' 6' ' ' GLN . 7.2 tp -66.99 -30.15 70.19 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 176.603 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.626 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 10.1 t-160 -97.13 39.3 1.19 Allowed 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.633 179.473 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' A' ' 12' ' ' GLY . 2.9 t70 -28.69 93.06 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.714 -0.616 . . . . 0.0 110.552 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' HIS . 1.9 tmtp? -50.07 88.86 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.449 -0.782 . . . . 0.0 109.599 -179.732 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.56 ' O ' ' C ' ' A' ' 13' ' ' LYS . . . 147.24 -93.11 0.15 Allowed Glycine 0 N--CA 1.48 1.609 0 N-CA-C 107.308 -2.317 . . . . 0.0 107.308 -179.478 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.56 ' C ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER . . . . . 0 CA--C 1.478 -1.813 0 CA-C-N 118.002 0.901 . . . . 0.0 109.095 178.333 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 1.7 m-20 . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.583 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 1.0 OUTLIER -43.82 -31.64 0.89 Allowed 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 105.976 -1.861 . . . . 0.0 105.976 177.438 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -65.94 -63.25 1.13 Allowed 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 176.481 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.691 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 3.3 tmm_? -55.21 -37.45 67.14 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.892 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.524 ' NE ' HD23 ' A' ' 18' ' ' LEU . 2.9 mtm-85 -51.19 -32.84 25.02 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 105.507 -2.034 . . . . 0.0 105.507 176.801 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 22.1 m-85 -89.95 -29.67 18.34 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 176.509 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.691 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -11.19 -74.85 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.474 0 CA-C-O 121.569 0.7 . . . . 0.0 110.957 -179.254 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.74 -41.04 54.43 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.415 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.572 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -56.56 -27.61 58.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.168 -0.958 . . . . 0.0 109.115 179.31 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.8 t60 . . . . . 0 C--N 1.307 -1.279 0 O-C-N 121.261 -0.899 . . . . 0.0 110.373 -179.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 121.284 0.564 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -144.73 163.99 32.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.271 -0.893 . . . . 0.0 109.595 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.7 tp10 -88.71 -69.94 0.68 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.267 -0.896 . . . . 0.0 109.256 179.86 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.484 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 5.3 m-70 -42.97 -46.69 5.53 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.339 -0.851 . . . . 0.0 109.763 -179.878 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.525 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -45.72 161.09 0.05 OUTLIER 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.101 -0.999 . . . . 0.0 108.527 179.443 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.525 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.4 OUTLIER 75.88 -50.8 0.62 Allowed 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.226 -0.921 . . . . 0.0 109.667 -179.663 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.484 ' HB3' ' O ' ' A' ' 5' ' ' HIS . 4.1 tp -59.05 -38.41 79.29 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 120.783 -1.198 . . . . 0.0 109.123 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.515 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 11.8 m170 -72.24 -69.44 0.4 Allowed 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.778 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 9' ' ' HIS . 2.7 t0 29.18 87.33 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.539 176.245 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -43.53 102.7 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.234 -0.916 . . . . 0.0 109.716 -179.689 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.23 -36.93 0.81 Allowed Glycine 0 N--CA 1.488 2.161 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' CG ' ' OD2' ' A' ' 10' ' ' ASP . 8.9 mmtt . . . . . 0 C--N 1.304 -1.374 0 O-C-N 121.529 -0.983 . . . . 0.0 110.087 179.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.527 ' OD1' ' CD ' ' A' ' 20' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.608 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 2.1 tp -47.82 -28.89 2.8 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 176.791 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.53 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -70.5 -52.01 24.94 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 177.595 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.64 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 8.3 ptm180 -66.82 -27.25 67.41 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.295 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -57.84 -31.55 66.76 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 104.981 -2.229 . . . . 0.0 104.981 176.358 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.608 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 20.5 m-85 -95.41 -25.33 16.31 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.801 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.64 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -21.55 -70.56 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.653 0 CA-C-O 121.518 0.675 . . . . 0.0 110.331 -179.534 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.412 ' HA ' HD21 ' A' ' 24' ' ' LEU . 14.0 mt -72.6 -40.49 66.51 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.151 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.8 t60 -49.92 -43.43 49.75 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.287 -0.883 . . . . 0.0 108.83 179.248 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 C--N 1.307 -1.265 0 O-C-N 121.347 -0.846 . . . . 0.0 109.875 179.628 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 3' ' ' SER . 7.3 p . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 121.197 0.523 . . . . 0.0 109.827 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.452 ' N ' HG12 ' A' ' 2' ' ' VAL . 15.2 t -119.28 162.81 18.1 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.147 -0.971 . . . . 0.0 109.699 -179.755 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 5' ' ' HIS . 18.0 tp10 -83.98 -71.01 0.53 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.291 -0.881 . . . . 0.0 109.373 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.466 ' O ' ' O ' ' A' ' 6' ' ' GLN . 1.5 m-70 -42.01 -28.39 0.17 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.379 -0.825 . . . . 0.0 109.539 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -46.82 167.35 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.917 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 0.2 OUTLIER 67.87 -69.52 0.14 Allowed 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 -178.388 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 6' ' ' GLN . 10.8 tp -56.1 -45.29 79.47 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 176.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.568 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 1.9 t-80 -45.11 -78.59 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.969 178.373 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 12' ' ' GLY . 8.4 t0 -82.87 -68.36 0.71 Allowed 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.642 -0.662 . . . . 0.0 110.38 -179.243 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.483 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . 2.9 tmtp? -47.63 88.42 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.593 -0.692 . . . . 0.0 109.25 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . 144.46 -32.9 1.71 Allowed Glycine 0 N--CA 1.484 1.885 0 N-CA-C 108.615 -1.794 . . . . 0.0 108.615 -179.475 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 47.1 mmtt . . . . . 0 CA--C 1.487 -1.474 0 O-C-N 121.312 -1.111 . . . . 0.0 108.648 178.699 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.491 ' OD2' ' NE ' ' A' ' 20' ' ' ARG . 7.4 t70 . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.536 HD13 ' CZ ' ' A' ' 22' ' ' PHE . 15.9 tp -49.06 -26.72 2.81 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 177.373 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -70.76 -49.06 50.77 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.645 177.892 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.64 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 1.0 OUTLIER -58.68 -34.72 71.58 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 119.107 -1.037 . . . . 0.0 109.194 -179.36 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.529 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 1.6 mpp_? -56.54 -27.44 57.64 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 176.658 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.579 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 20.2 m-85 -96.12 -24.87 16.1 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.063 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.64 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -24.9 -82.62 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.465 0 CA-C-O 121.917 0.865 . . . . 0.0 110.071 -179.375 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -52.68 -38.69 60.95 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.702 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.512 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -43.03 -43.62 4.36 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.376 -0.93 . . . . 0.0 109.24 179.816 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' ' 22' ' ' PHE . 11.8 m-70 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 122.197 0.999 . . . . 0.0 109.419 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 121.29 0.567 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t -50.87 153.52 1.75 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.309 -0.869 . . . . 0.0 109.556 -179.875 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -85.23 -30.91 23.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.363 -0.836 . . . . 0.0 109.719 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.464 ' O ' ' O ' ' A' ' 6' ' ' GLN . 3.4 t-80 -43.88 -35.28 1.9 Allowed 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.181 -0.95 . . . . 0.0 109.985 -179.575 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -45.65 164.79 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.443 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 0.3 OUTLIER 67.71 -68.18 0.17 Allowed 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 -177.936 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.518 ' N ' ' O ' ' A' ' 6' ' ' GLN . 6.1 tp -54.92 -45.7 74.8 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 105.466 -2.05 . . . . 0.0 105.466 176.529 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.634 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 1.7 t-80 -41.45 -82.64 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.006 178.386 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.634 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 24.9 t70 -81.09 -110.98 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.535 -0.728 . . . . 0.0 109.642 -179.409 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER 35.52 31.28 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.395 -0.816 . . . . 0.0 110.503 179.751 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . -148.65 -36.57 0.04 OUTLIER Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 12' ' ' GLY . 4.7 mmtm . . . . . 0 C--N 1.306 -1.304 0 O-C-N 121.313 -1.11 . . . . 0.0 110.399 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' C ' ' N ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.21 -0.982 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.58 HD11 ' CE2' ' A' ' 22' ' ' PHE . 1.1 pp -50.76 -26.69 5.94 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 105.712 -1.958 . . . . 0.0 105.712 177.704 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -72.47 -50.59 25.01 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.633 -1.167 . . . . 0.0 108.329 178.17 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.676 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 7.9 ptm180 -71.71 -33.12 68.49 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.239 -0.984 . . . . 0.0 108.452 179.765 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.405 ' NH1' ' HG2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -53.52 -28.66 32.46 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 104.951 -2.24 . . . . 0.0 104.951 175.857 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CE2' HD11 ' A' ' 18' ' ' LEU . 10.1 m-30 -95.51 -29.56 14.31 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.991 177.759 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.676 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -23.54 -83.55 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.419 0 CA-C-O 121.509 0.671 . . . . 0.0 110.538 -179.34 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.66 -45.61 77.67 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.494 -0.754 . . . . 0.0 109.192 179.841 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 22' ' ' PHE . 1.2 m170 -50.35 -54.68 19.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.976 -1.077 . . . . 0.0 109.045 179.78 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 t60 . . . . . 0 C--N 1.303 -1.436 0 O-C-N 121.178 -0.951 . . . . 0.0 108.768 179.217 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.446 HG21 ' N ' ' A' ' 3' ' ' SER . 10.5 p . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 121.284 0.564 . . . . 0.0 109.674 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.446 ' N ' HG21 ' A' ' 2' ' ' VAL . 35.5 t -67.15 148.87 51.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.346 -0.846 . . . . 0.0 109.363 179.86 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' HIS . 5.5 tt0 -86.44 -74.0 0.44 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.215 -0.928 . . . . 0.0 109.668 -179.873 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.489 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -43.5 -31.54 0.73 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.398 -0.814 . . . . 0.0 109.858 -179.575 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -47.23 169.78 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.206 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.509 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER 72.95 -63.84 0.42 Allowed 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -178.269 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.441 ' HA ' HD11 ' A' ' 8' ' ' LEU . 13.3 tp -76.26 -38.26 56.5 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 177.667 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' A' ' 9' ' ' HIS . 4.7 t-80 -55.5 -18.98 8.3 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.02 -179.827 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.542 ' C ' ' O ' ' A' ' 9' ' ' HIS . 6.2 t0 15.81 108.28 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.407 0.622 . . . . 0.0 112.339 178.789 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.38 10.66 0.74 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.1 -1.0 . . . . 0.0 111.274 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . -107.06 -9.8 29.22 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 179.369 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.473 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 57.6 mmtt . . . . . 0 C--N 1.305 -1.326 0 O-C-N 121.496 -1.002 . . . . 0.0 110.46 -179.854 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.509 ' HB3' ' NH2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.594 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -48.4 -29.31 3.9 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 177.547 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.5 ttm-85 -64.29 -52.04 60.53 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.82 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.655 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -68.49 -31.82 71.36 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.886 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.53 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.0 mtm-85 -53.95 -30.55 47.21 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.094 -2.187 . . . . 0.0 105.094 176.184 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 21.4 m-85 -92.85 -30.18 15.57 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.212 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.655 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -15.09 -74.14 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.534 0 CA-C-O 121.641 0.734 . . . . 0.0 111.052 -179.62 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.474 HD21 ' N ' ' A' ' 24' ' ' LEU . 4.1 mm? -72.68 -40.13 66.52 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.537 -0.727 . . . . 0.0 109.166 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.547 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -57.68 -36.42 71.91 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.14 -0.975 . . . . 0.0 109.108 179.537 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 22' ' ' PHE . 4.0 t60 . . . . . 0 C--N 1.306 -1.29 0 O-C-N 121.366 -0.834 . . . . 0.0 109.793 179.492 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.472 ' O ' ' O ' ' A' ' 3' ' ' SER . 9.3 p . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.472 ' O ' ' O ' ' A' ' 2' ' ' VAL . 10.6 p 37.88 93.88 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.63 -0.668 . . . . 0.0 110.311 179.643 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' SER . 30.8 tt0 -42.55 -41.79 3.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.216 -0.928 . . . . 0.0 109.686 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.504 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -45.45 -23.51 0.22 Allowed 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.274 -0.891 . . . . 0.0 110.11 -179.42 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 8' ' ' LEU . 2.1 mm-40 -49.77 175.38 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 178.808 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.508 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 70.19 -70.05 0.16 Allowed 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 -178.069 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 6' ' ' GLN . 1.2 tp -66.77 -40.04 88.08 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 105.699 -1.963 . . . . 0.0 105.699 176.508 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.616 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 10.0 t-160 -91.03 37.37 0.93 Allowed 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.413 178.802 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.517 ' OD2' ' NZ ' ' A' ' 13' ' ' LYS . 6.3 t70 -34.43 94.05 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.57 -0.706 . . . . 0.0 110.626 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 9' ' ' HIS . 12.5 tptp -66.7 99.97 0.65 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.171 -0.956 . . . . 0.0 109.415 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 152.12 -30.74 0.89 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.898 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.517 ' NZ ' ' OD2' ' A' ' 10' ' ' ASP . 8.5 mmtt . . . . . 0 C--N 1.304 -1.393 0 O-C-N 121.375 -1.073 . . . . 0.0 110.373 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.594 HD11 ' CZ ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -49.68 -27.84 5.22 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 177.702 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.6 ttm-85 -63.77 -62.27 1.76 Allowed 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 177.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.653 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -59.89 -28.62 67.71 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 178.772 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.482 ' HB2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -56.3 -31.75 63.95 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 104.86 -2.274 . . . . 0.0 104.86 176.08 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 22.7 m-85 -91.82 -26.04 18.71 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 176.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.653 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -20.1 -71.13 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.428 0 CA-C-O 121.752 0.787 . . . . 0.0 110.057 -179.44 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.2 -44.97 74.65 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.088 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 22' ' ' PHE . 3.3 t-160 -47.74 -45.83 29.37 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.096 -1.003 . . . . 0.0 108.356 179.125 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.6 t60 . . . . . 0 C--N 1.306 -1.295 0 O-C-N 121.463 -0.773 . . . . 0.0 109.608 179.359 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 121.364 0.602 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.444 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -142.77 171.62 13.81 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.337 -0.852 . . . . 0.0 109.164 179.937 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.09 -42.12 63.35 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.112 -0.993 . . . . 0.0 109.201 179.877 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 9' ' ' HIS . 1.6 m-70 -52.48 -19.03 1.95 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.321 -0.862 . . . . 0.0 109.939 -179.909 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -47.32 170.4 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 179.016 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.467 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER 69.32 -68.62 0.18 Allowed 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 -177.982 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 6' ' ' GLN . 1.4 tp -64.73 -32.81 74.65 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 105.488 -2.041 . . . . 0.0 105.488 176.321 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.636 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 9.9 t-160 -90.61 35.49 0.88 Allowed 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.5 179.249 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.541 ' C ' ' O ' ' A' ' 9' ' ' HIS . 21.6 t0 -25.81 124.46 0.06 Allowed 'General case' 0 N--CA 1.499 2.017 0 CA-C-O 121.231 0.538 . . . . 0.0 110.728 179.714 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.84 13.78 2.49 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.212 -0.93 . . . . 0.0 110.538 -179.332 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . -108.47 -15.97 12.85 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 179.761 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 12' ' ' GLY . 15.3 mmtp . . . . . 0 C--N 1.305 -1.341 0 O-C-N 121.462 -1.022 . . . . 0.0 110.26 -179.876 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.511 ' HA ' ' HB2' ' A' ' 20' ' ' ARG . 19.9 t0 . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -52.57 -23.33 6.19 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 104.964 -2.235 . . . . 0.0 104.964 175.712 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -90.94 -63.01 1.33 Allowed 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.398 -1.274 . . . . 0.0 108.191 178.212 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.658 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -50.39 -23.12 2.18 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -179.864 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 17' ' ' ASP . 6.7 mtm-85 -61.61 -44.06 97.7 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 105.18 -2.155 . . . . 0.0 105.18 177.185 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.538 ' O ' ' C ' ' A' ' 23' ' ' PHE . 46.8 m-85 -82.92 -19.58 37.02 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 177.495 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.658 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -27.07 -70.53 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.293 0 CA-C-O 121.504 0.669 . . . . 0.0 110.679 -179.193 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.508 HD21 ' N ' ' A' ' 24' ' ' LEU . 3.1 mm? -69.77 -40.69 75.91 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.556 -0.715 . . . . 0.0 109.599 -179.773 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.526 ' HB2' ' HA ' ' A' ' 22' ' ' PHE . 7.8 m-70 -56.39 -42.78 78.48 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.116 -0.99 . . . . 0.0 109.31 -179.906 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.1 t60 . . . . . 0 C--N 1.306 -1.291 0 O-C-N 121.111 -0.993 . . . . 0.0 109.657 179.898 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 2' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 121.449 0.643 . . . . 0.0 109.667 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 3.3 t -51.81 161.51 0.54 Allowed 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.425 -0.797 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -51.04 -37.65 46.68 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.16 -0.963 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -49.51 -26.42 3.42 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.418 -0.801 . . . . 0.0 110.207 -179.568 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.511 ' O ' ' O ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -47.56 172.65 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.377 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 69.33 -62.84 0.4 Allowed 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 -178.464 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 6' ' ' GLN . 19.1 tp -77.61 -33.18 53.8 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 177.533 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.553 ' N ' ' O ' ' A' ' 5' ' ' HIS . 8.6 t-80 -75.62 -4.81 42.18 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.517 ' C ' ' O ' ' A' ' 9' ' ' HIS . 5.9 t0 24.12 -88.77 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.146 0.498 . . . . 0.0 111.77 178.77 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 9' ' ' HIS . 1.1 tptm 36.22 30.35 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.589 -0.694 . . . . 0.0 110.697 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . -143.04 -37.32 0.08 OUTLIER Glycine 0 N--CA 1.489 2.17 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 179.244 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HG2' ' OD1' ' A' ' 10' ' ' ASP . 29.6 mmtt . . . . . 0 C--N 1.304 -1.379 0 O-C-N 121.397 -1.061 . . . . 0.0 110.797 -179.704 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.551 ' O ' ' N ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.59 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 12.8 tp -48.3 -28.71 3.28 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 177.11 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.9 OUTLIER -70.19 -50.93 35.15 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 177.623 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.577 ' HA ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -73.46 -4.83 36.16 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 178.171 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 17' ' ' ASP . 2.5 mtt-85 -82.48 -36.36 26.55 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 104.255 -2.498 . . . . 0.0 104.255 176.468 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.59 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 20.2 m-85 -86.42 -22.69 26.4 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 176.299 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.577 ' CD1' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -19.43 -75.72 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 CA-C-O 121.512 0.672 . . . . 0.0 110.682 179.88 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.72 -35.14 67.51 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.21 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 22' ' ' PHE . 4.4 t60 -55.59 -37.26 67.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.326 -0.859 . . . . 0.0 109.255 179.657 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.1 t60 . . . . . 0 C--N 1.306 -1.314 0 O-C-N 121.334 -0.854 . . . . 0.0 110.187 -179.856 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.418 ' CG2' ' N ' ' A' ' 3' ' ' SER . 2.9 p . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 121.173 0.511 . . . . 0.0 109.663 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.487 ' OG ' ' N ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -87.2 -172.33 3.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.218 -0.926 . . . . 0.0 109.407 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.487 ' N ' ' OG ' ' A' ' 3' ' ' SER . 1.4 tt0 -100.15 -62.5 1.23 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.3 -0.875 . . . . 0.0 109.839 -179.758 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.46 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -61.73 -9.87 7.42 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.369 -0.832 . . . . 0.0 110.633 -179.229 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.04 20.14 1.96 Allowed 'General case' 0 C--N 1.306 -1.289 0 O-C-N 120.946 -1.096 . . . . 0.0 110.446 -179.847 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.5 -68.46 0.8 Allowed 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 178.625 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.451 ' HA ' HD11 ' A' ' 8' ' ' LEU . 2.0 tp -62.68 -44.11 97.09 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 178.05 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.52 ' O ' ' C ' ' A' ' 10' ' ' ASP . 3.7 t-80 -52.71 -52.62 55.41 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.823 -0.548 . . . . 0.0 110.131 -179.785 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.549 ' O ' ' N ' ' A' ' 12' ' ' GLY . 19.2 t0 28.79 -99.94 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.147 0 O-C-N 121.943 -0.473 . . . . 0.0 111.013 179.251 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER 33.54 32.26 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.621 -0.675 . . . . 0.0 110.473 179.574 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . -142.16 -33.89 0.11 Allowed Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.763 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.487 ' O ' ' O ' ' A' ' 12' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--N 1.306 -1.289 0 O-C-N 121.365 -1.079 . . . . 0.0 109.956 179.881 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.519 ' O ' ' N ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.61 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 3.4 tp -50.04 -27.5 5.64 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 176.837 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.5 ttm-85 -71.43 -57.69 4.21 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 177.532 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.607 ' HA ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -64.44 -11.94 38.45 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 179.356 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -74.71 -33.93 62.49 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 104.586 -2.376 . . . . 0.0 104.586 176.146 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.61 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 23.7 m-85 -90.94 -22.69 20.73 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 176.813 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.607 ' CD1' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -20.61 -69.97 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.427 0 CA-C-O 121.69 0.757 . . . . 0.0 110.578 179.903 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mt -76.75 -33.97 58.08 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.557 -0.715 . . . . 0.0 109.287 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -69.1 -13.71 62.59 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.126 -0.984 . . . . 0.0 110.368 -179.761 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.57 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.307 -1.255 0 O-C-N 120.971 -1.08 . . . . 0.0 111.265 -178.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.324 0.583 . . . . 0.0 109.538 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.502 HG21 ' N ' ' A' ' 3' ' ' SER . 2.6 p -43.58 157.05 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.145 -0.972 . . . . 0.0 109.641 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.502 ' N ' HG21 ' A' ' 2' ' ' VAL . 1.3 p -105.25 -173.72 2.37 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.215 -0.928 . . . . 0.0 109.384 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -81.87 -68.67 0.68 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.253 -0.905 . . . . 0.0 109.409 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -46.77 -28.3 1.49 Allowed 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.316 -0.865 . . . . 0.0 109.933 -179.808 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -48.9 172.52 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 178.854 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.452 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER 69.16 -69.88 0.15 Allowed 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 106.43 -1.693 . . . . 0.0 106.43 -177.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.541 ' N ' ' O ' ' A' ' 6' ' ' GLN . 1.9 tp -64.01 -32.8 74.47 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 176.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.616 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 11.9 t-80 -98.69 45.21 1.01 Allowed 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.6 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.55 ' O ' ' N ' ' A' ' 12' ' ' GLY . 8.7 t0 -25.77 -47.11 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.931 -0.481 . . . . 0.0 110.965 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 9' ' ' HIS . 2.3 mmtm -43.92 93.41 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.438 -0.789 . . . . 0.0 109.134 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . 151.11 -36.16 0.89 Allowed Glycine 0 N--CA 1.487 2.058 0 N-CA-C 108.809 -1.716 . . . . 0.0 108.809 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 15' ' ' ILE . 12.6 mmtt -57.09 -161.87 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 O-C-N 121.296 -1.12 . . . . 0.0 109.919 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.509 ' N ' HD12 ' A' ' 15' ' ' ILE . 1.5 m -69.37 58.62 0.12 Allowed 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 122.509 1.147 . . . . 0.0 110.6 -178.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.605 ' N ' ' CD1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -114.56 -47.54 4.89 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 N-CA-C 102.577 -3.12 . . . . 0.0 102.577 177.236 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.494 ' O ' ' HB3' ' A' ' 19' ' ' ARG . 4.3 mm-40 -63.4 -29.89 71.11 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 104.195 -2.52 . . . . 0.0 104.195 173.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -87.6 -43.18 12.17 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 115.419 -0.809 . . . . 0.0 108.868 178.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -49.59 -27.53 4.63 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 177.65 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -66.83 -49.16 66.65 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.188 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.62 ' HA ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -65.68 -11.86 48.65 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.763 0.792 . . . . 0.0 109.049 179.67 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -31.61 53.89 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 176.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.556 ' O ' ' N ' ' A' ' 26' ' ' HIS . 25.4 m-85 -92.46 -22.78 19.41 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 177.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.62 ' CD1' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -18.67 -75.94 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.441 0 CA-C-O 121.537 0.684 . . . . 0.0 110.677 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mp -73.32 -35.28 66.03 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 22' ' ' PHE . 5.2 t60 -56.46 -31.97 64.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.903 . . . . 0.0 109.141 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.7 t60 -79.17 -55.78 4.85 Favored 'General case' 0 C--N 1.307 -1.258 0 O-C-N 121.321 -0.862 . . . . 0.0 110.285 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.454 ' O ' HD12 ' A' ' 28' ' ' ILE . 16.2 mt -72.34 -6.71 45.22 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.392 -0.817 . . . . 0.0 109.715 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.527 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 31.5 mm -147.94 57.18 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.276 -0.89 . . . . 0.0 109.614 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 28' ' ' ILE . . . 162.35 93.75 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.287 -0.883 . . . . 0.0 109.53 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 172.61 106.24 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.215 -0.928 . . . . 0.0 109.823 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.75 109.02 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.257 -0.902 . . . . 0.0 109.177 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 33' ' ' THR . 0.5 OUTLIER -59.55 89.19 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.277 -0.889 . . . . 0.0 109.775 -179.719 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 32' ' ' HIS . 0.0 OUTLIER 42.96 55.67 4.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.347 -0.845 . . . . 0.0 109.54 179.821 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.406 -179.899 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 1' ' ' ALA . 6.4 p -42.15 150.96 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.38 -0.825 . . . . 0.0 109.505 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 p -49.63 138.43 14.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.219 -0.925 . . . . 0.0 109.458 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.1 tt0 -85.06 -39.4 18.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.31 -0.869 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -43.49 -39.21 3.23 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.456 -0.778 . . . . 0.0 109.758 -179.686 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -45.43 159.45 0.06 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.166 -0.959 . . . . 0.0 108.619 179.493 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.4 OUTLIER 75.3 -50.02 0.64 Allowed 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.14 -0.975 . . . . 0.0 109.691 -179.555 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 8' ' ' LEU . 14.3 tp -64.44 -8.9 15.15 Favored 'General case' 0 C--N 1.309 -1.154 0 O-C-N 120.949 -1.094 . . . . 0.0 109.985 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.549 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 10.2 m170 -78.5 -38.41 40.84 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 122.958 1.361 . . . . 0.0 107.715 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.474 ' HB3' ' O ' ' A' ' 7' ' ' LEU . 1.6 t70 -37.25 93.17 0.01 OUTLIER 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.577 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -48.2 110.52 0.34 Allowed 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.066 -1.021 . . . . 0.0 108.973 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.491 ' HA2' ' CB ' ' A' ' 16' ' ' GLN . . . 148.27 -35.93 1.13 Allowed Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.467 -1.853 . . . . 0.0 108.467 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.526 ' N ' HD13 ' A' ' 15' ' ' ILE . 6.5 mmtt -55.21 -166.5 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.51 -0.994 . . . . 0.0 109.389 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.13 64.88 0.56 Allowed 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 123.12 1.438 . . . . 0.0 109.969 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.526 HD13 ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -147.44 -51.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.281 -2.388 0 N-CA-C 102.632 -3.099 . . . . 0.0 102.632 178.537 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.491 ' CB ' ' HA2' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -55.08 -28.99 56.55 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 173.648 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -99.31 -36.12 9.72 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 114.576 -1.193 . . . . 0.0 107.878 179.414 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.591 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 14.0 tp -49.76 -27.66 5.2 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 177.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -70.4 -43.58 69.73 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 177.565 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.637 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -77.66 -23.46 49.65 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.274 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -62.26 -30.43 71.11 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 104.375 -2.454 . . . . 0.0 104.375 175.732 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.591 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 21.6 m-85 -92.17 -28.65 16.93 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 177.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.637 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -22.62 -73.97 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.412 0 CA-C-O 121.602 0.715 . . . . 0.0 110.562 -179.397 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.45 -38.93 88.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.506 -0.747 . . . . 0.0 109.199 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -55.36 -45.2 76.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.251 -0.905 . . . . 0.0 109.451 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -59.45 -41.46 89.73 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.135 -0.978 . . . . 0.0 110.527 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.4 mt -73.76 1.12 11.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.243 -0.911 . . . . 0.0 110.51 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.456 HG23 ' HA ' ' A' ' 25' ' ' HIS . 3.9 tp -129.72 -29.6 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.936 -1.103 . . . . 0.0 110.035 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 25' ' ' HIS . . . 175.08 150.84 0.1 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.192 -0.942 . . . . 0.0 109.161 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.18 163.58 28.22 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.2 -0.937 . . . . 0.0 109.818 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.519 ' CG1' ' O ' ' A' ' 31' ' ' ILE . 1.5 pp -118.58 95.06 3.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 121.589 -0.694 . . . . 0.0 109.447 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 31' ' ' ILE . 0.1 OUTLIER -38.49 107.17 0.06 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.595 -0.691 . . . . 0.0 110.179 -179.637 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.02 82.79 1.73 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.289 -0.882 . . . . 0.0 109.523 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.408 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.345 0.593 . . . . 0.0 109.563 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 1' ' ' ALA . 2.1 p -44.71 -54.04 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.327 -0.858 . . . . 0.0 109.842 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -116.84 167.16 11.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.187 -0.946 . . . . 0.0 109.686 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -92.45 -53.77 4.07 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.352 -0.843 . . . . 0.0 109.446 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.477 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.9 OUTLIER -45.26 -53.43 8.37 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.467 -0.771 . . . . 0.0 109.965 -179.553 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -45.32 162.37 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.498 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.517 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.4 OUTLIER 76.83 -49.39 0.55 Allowed 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.148 -0.97 . . . . 0.0 109.431 -179.335 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.477 ' HB3' ' O ' ' A' ' 5' ' ' HIS . 5.0 tp -63.99 -37.78 88.69 Favored 'General case' 0 C--N 1.313 -1.005 0 O-C-N 120.804 -1.185 . . . . 0.0 109.46 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.539 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 10.6 m170 -82.94 -35.98 25.56 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 122.993 1.378 . . . . 0.0 107.848 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.557 ' HA ' ' CD ' ' A' ' 13' ' ' LYS . 0.8 OUTLIER -55.37 -20.62 12.43 Favored 'General case' 0 C--N 1.282 -2.356 0 CA-C-N 114.024 -1.444 . . . . 0.0 110.223 179.688 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' C ' HD12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -76.61 3.72 10.9 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.281 -0.887 . . . . 0.0 109.449 179.782 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -114.14 -1.53 23.67 Favored Glycine 0 N--CA 1.486 1.967 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.557 ' CD ' ' HA ' ' A' ' 10' ' ' ASP . 0.6 OUTLIER -77.14 -156.81 0.08 Allowed 'General case' 0 N--CA 1.483 1.192 0 O-C-N 121.006 -1.291 . . . . 0.0 109.815 179.769 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -86.04 56.35 3.94 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-O 122.734 1.254 . . . . 0.0 110.286 -179.504 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.505 HD13 ' O ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -109.59 -49.06 7.05 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.283 0 N-CA-C 102.739 -3.059 . . . . 0.0 102.739 176.269 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.484 ' O ' ' HB3' ' A' ' 19' ' ' ARG . 3.9 mt-30 -71.42 -24.84 62.11 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 104.457 -2.423 . . . . 0.0 104.457 173.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.512 ' OD1' ' CD ' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -91.86 -32.49 15.3 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.682 179.536 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.577 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -49.72 -29.44 7.57 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 177.36 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.542 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -64.16 -49.81 70.62 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.348 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.651 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 5.1 ptm180 -67.5 -33.0 74.19 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 14' ' ' SER . 0.2 OUTLIER -53.55 -29.21 35.93 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 176.31 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 21.9 m-85 -97.3 -27.3 14.57 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.651 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -21.76 -66.43 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.437 0 CA-C-O 121.483 0.659 . . . . 0.0 110.713 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.508 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 2.0 mp -78.29 -40.67 36.17 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.468 -0.77 . . . . 0.0 109.523 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -58.49 -28.21 65.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.08 -1.013 . . . . 0.0 109.282 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.545 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.0 OUTLIER -71.3 -54.89 9.29 Favored 'General case' 0 C--N 1.307 -1.264 0 O-C-N 121.191 -0.943 . . . . 0.0 109.928 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.426 HD22 ' HB3' ' A' ' 26' ' ' HIS . 4.7 mt -81.67 -5.55 58.19 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.413 -0.805 . . . . 0.0 109.92 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.532 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 16.6 mm -98.77 -1.19 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.194 -0.941 . . . . 0.0 109.536 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 28' ' ' ILE . . . 162.6 145.36 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.218 -0.926 . . . . 0.0 109.169 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -140.97 169.87 16.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.164 -0.96 . . . . 0.0 109.829 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' HIS . 1.0 OUTLIER -59.9 114.24 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 CA-C-O 121.73 0.776 . . . . 0.0 108.987 -179.891 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' ILE . 90.0 m-70 -40.88 127.44 2.6 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.279 0.561 . . . . 0.0 109.737 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 m -64.0 139.14 58.74 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.3 -0.875 . . . . 0.0 109.595 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.543 179.794 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.455 HG21 ' N ' ' A' ' 3' ' ' SER . 7.3 p -42.36 154.28 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.303 -0.873 . . . . 0.0 109.504 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.455 ' N ' HG21 ' A' ' 2' ' ' VAL . 60.3 p -95.58 135.25 37.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.23 -0.919 . . . . 0.0 109.433 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -54.76 -32.0 59.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.323 -0.861 . . . . 0.0 109.69 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.411 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -58.09 -11.75 2.83 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.384 -0.823 . . . . 0.0 110.655 -179.161 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.2 32.87 0.61 Allowed 'General case' 0 N--CA 1.485 1.284 0 O-C-N 120.914 -1.116 . . . . 0.0 110.148 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.422 HD22 ' HB2' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -119.77 -69.95 0.82 Allowed 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 179.438 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.509 ' CD1' ' N ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -56.46 -43.23 79.35 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.079 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.609 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -44.05 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.525 0.679 . . . . 0.0 109.695 178.391 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.609 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 7.3 t70 -63.55 -14.18 48.7 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.47 -0.768 . . . . 0.0 110.108 -178.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 10' ' ' ASP . 4.0 tmtp? 38.35 28.54 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.498 -0.751 . . . . 0.0 110.417 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . -144.0 11.25 2.09 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.526 ' O ' HD13 ' A' ' 15' ' ' ILE . 5.4 mmtp -101.61 -152.94 0.44 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.382 -1.069 . . . . 0.0 110.078 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.515 ' HB3' ' NH1' ' A' ' 21' ' ' ARG . 2.5 m -70.26 60.88 0.2 Allowed 'General case' 0 C--N 1.289 -2.023 0 C-N-CA 118.51 -1.276 . . . . 0.0 110.732 -178.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.526 HD13 ' O ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -114.49 -46.2 4.67 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 N-CA-C 103.261 -2.866 . . . . 0.0 103.261 176.565 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.499 ' O ' ' HB3' ' A' ' 19' ' ' ARG . 2.7 mm-40 -69.67 -26.99 64.65 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 104.312 -2.477 . . . . 0.0 104.312 174.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -89.0 -38.68 14.25 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.817 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.587 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -49.61 -28.81 6.19 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 105.663 -1.977 . . . . 0.0 105.663 177.018 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -69.1 -58.95 3.39 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.821 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.589 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 9.1 ptm180 -59.76 -18.59 44.4 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 17' ' ' ASP . 1.6 mtm-85 -70.65 -31.27 68.13 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 105.458 -2.053 . . . . 0.0 105.458 176.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 23.5 m-85 -95.68 -20.12 19.17 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 177.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.589 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -21.45 -79.59 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.479 0 CA-C-O 121.71 0.767 . . . . 0.0 110.302 -179.134 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.456 ' O ' ' O ' ' A' ' 27' ' ' LEU . 4.8 mp -67.99 -32.74 73.35 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 22' ' ' PHE . 5.5 t-160 -57.61 -41.04 80.47 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 118.864 -1.135 . . . . 0.0 109.073 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.4 t60 -81.98 -50.24 9.36 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.239 -0.913 . . . . 0.0 110.079 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 28' ' ' ILE . 6.6 mt -93.88 139.52 30.79 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.34 -0.85 . . . . 0.0 109.687 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.481 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 3.9 mt 75.0 16.38 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.409 -0.807 . . . . 0.0 109.916 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.546 ' O ' ' CB ' ' A' ' 30' ' ' GLU . . . -151.54 41.2 0.69 Allowed 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.167 -0.958 . . . . 0.0 109.4 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.546 ' CB ' ' O ' ' A' ' 29' ' ' ALA . 0.3 OUTLIER 159.94 82.76 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -119.65 106.58 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.196 -0.94 . . . . 0.0 109.391 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.33 128.68 35.35 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.269 -0.895 . . . . 0.0 109.375 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.9 p -88.77 107.53 19.02 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.177 -0.952 . . . . 0.0 109.582 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.429 179.83 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.448 HG21 ' N ' ' A' ' 3' ' ' SER . 6.8 p -43.06 148.42 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.308 -0.87 . . . . 0.0 109.81 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.448 ' N ' HG21 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -136.55 175.14 9.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.306 -0.871 . . . . 0.0 109.285 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.404 ' N ' ' OG ' ' A' ' 3' ' ' SER . 3.3 tp10 -73.91 -59.57 2.66 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.207 -0.933 . . . . 0.0 109.505 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.486 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.5 OUTLIER -48.57 -25.41 1.71 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.246 -0.909 . . . . 0.0 109.865 -179.714 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -48.66 172.1 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 179.039 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 70.95 -66.96 0.27 Allowed 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 -178.304 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 6' ' ' GLN . 2.0 tp -69.38 -34.97 75.32 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 176.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 11.4 t-80 -80.26 5.52 14.45 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.818 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.552 ' O ' ' C ' ' A' ' 11' ' ' LYS . 4.6 t70 21.5 -94.53 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.373 0 O-C-N 122.219 -0.3 . . . . 0.0 111.578 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER 22.9 87.55 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 121.043 0.449 . . . . 0.0 110.892 179.783 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 14' ' ' SER . . . 136.33 -29.45 2.8 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.607 ' O ' ' O ' ' A' ' 14' ' ' SER . 7.2 mmmt -66.44 62.46 0.04 OUTLIER 'General case' 0 CA--C 1.491 -1.313 0 O-C-N 121.659 -0.907 . . . . 0.0 109.25 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.704 ' O ' ' N ' ' A' ' 16' ' ' GLN . 41.8 p 44.28 96.2 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.58 ' C ' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -25.36 -39.41 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 179.428 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.704 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -30.8 -40.88 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 114.176 -1.375 . . . . 0.0 108.212 173.78 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.565 ' N ' ' O ' ' A' ' 14' ' ' SER . 53.1 m-20 -91.56 -44.36 9.12 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.529 -0.868 . . . . 0.0 109.099 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.498 ' HB3' ' HA ' ' A' ' 15' ' ' ILE . 42.5 tp -48.48 -26.92 2.37 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 177.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -71.67 -48.89 44.49 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.457 177.849 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.639 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -63.2 -12.57 29.22 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.21 -0.996 . . . . 0.0 109.044 -179.72 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.04 -33.9 63.9 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 176.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.535 ' O ' ' C ' ' A' ' 23' ' ' PHE . 55.4 m-85 -91.31 -21.83 20.85 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.639 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -23.47 -77.32 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.339 0 CA-C-O 121.64 0.733 . . . . 0.0 110.141 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.462 HD21 HD13 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -64.48 -38.72 91.99 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.38 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.497 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 7.9 t60 -52.67 -40.76 63.18 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.051 -1.03 . . . . 0.0 109.011 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.9 t60 -76.34 -65.31 0.94 Allowed 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.242 -0.911 . . . . 0.0 110.09 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.7 mt -54.61 -40.89 69.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.476 -0.765 . . . . 0.0 110.085 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.489 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 73.8 mt -100.73 50.76 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.131 -0.98 . . . . 0.0 109.821 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 25' ' ' HIS . . . 165.48 86.92 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.332 -0.855 . . . . 0.0 109.47 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -164.66 50.86 0.12 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.218 -0.926 . . . . 0.0 109.528 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 32' ' ' HIS . 5.1 mm -107.11 38.47 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.323 -0.86 . . . . 0.0 109.109 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 31' ' ' ILE . 1.2 m-70 161.98 62.9 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.06 139.14 42.62 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -0.891 . . . . 0.0 109.524 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 117.909 -1.043 . . . . 0.0 109.453 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.407 ' O ' HG11 ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.305 0.574 . . . . 0.0 109.537 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 2' ' ' VAL . 0.4 OUTLIER 49.6 19.44 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.269 -0.894 . . . . 0.0 110.176 179.224 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -51.47 168.2 0.08 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.328 -0.858 . . . . 0.0 109.282 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -72.52 -64.26 0.99 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.233 -0.917 . . . . 0.0 109.608 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -48.62 -20.68 0.48 Allowed 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.35 -0.844 . . . . 0.0 110.279 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.475 ' O ' ' HA ' ' A' ' 10' ' ' ASP . 1.1 mt-30 -84.52 18.29 2.35 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.024 -1.048 . . . . 0.0 110.32 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -94.21 -66.73 0.9 Allowed 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 178.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.423 ' HA ' HD11 ' A' ' 8' ' ' LEU . 6.2 tp -62.74 -45.09 94.32 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 177.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.662 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 8.3 t-160 -88.2 38.42 0.85 Allowed 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 121.722 0.772 . . . . 0.0 109.245 178.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.501 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 13.4 t70 -40.06 88.98 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.188 -0.945 . . . . 0.0 110.625 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 9' ' ' HIS . 2.5 tptt -53.7 100.46 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.992 -1.068 . . . . 0.0 109.175 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.426 ' CA ' ' OE1' ' A' ' 16' ' ' GLN . . . 155.07 -13.61 0.47 Allowed Glycine 0 N--CA 1.491 2.358 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.314 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.501 ' HD2' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -67.88 -155.2 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.327 0 O-C-N 120.969 -1.312 . . . . 0.0 109.142 179.729 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.484 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 1.5 m -74.62 54.15 0.59 Allowed 'General case' 0 C--N 1.295 -1.794 0 CA-C-O 122.555 1.169 . . . . 0.0 110.699 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.61 ' N ' ' CD1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -116.66 -45.79 3.84 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 102.704 -3.072 . . . . 0.0 102.704 177.417 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.554 ' HA ' ' CZ ' ' A' ' 19' ' ' ARG . 7.3 mp0 -64.3 -30.13 71.19 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 104.763 -2.31 . . . . 0.0 104.763 174.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.508 ' OD2' ' NE ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -89.63 -38.97 13.54 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.517 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 13.5 tp -51.47 -26.77 8.82 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 105.701 -1.962 . . . . 0.0 105.701 177.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -66.94 -48.09 69.66 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.624 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -63.47 -33.51 75.72 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.078 -1.049 . . . . 0.0 108.362 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.428 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -53.33 -29.52 34.33 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 176.555 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.568 ' O ' ' N ' ' A' ' 26' ' ' HIS . 22.5 m-85 -95.2 -28.93 14.79 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 177.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.624 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -20.95 -60.04 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.429 0 CA-C-O 121.685 0.755 . . . . 0.0 110.328 -179.448 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 mt -76.78 -46.02 26.68 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 22' ' ' PHE . 3.6 m-70 -62.52 -14.04 37.39 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.053 -1.029 . . . . 0.0 109.378 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.568 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.8 t60 -82.43 -69.52 0.62 Allowed 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.4 -0.812 . . . . 0.0 110.437 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' HIS . 21.9 mt -43.07 -46.15 5.57 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.684 -0.635 . . . . 0.0 110.033 -179.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.415 HD11 HG22 ' A' ' 28' ' ' ILE . 29.0 mm -71.82 -14.6 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.178 -0.951 . . . . 0.0 109.967 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 26' ' ' HIS . . . 179.58 149.47 0.3 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.181 -0.949 . . . . 0.0 109.607 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -152.28 125.88 8.89 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 0.0 109.592 -179.835 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' GLU . 5.8 mm 44.49 40.89 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.316 -0.865 . . . . 0.0 109.425 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.529 ' O ' ' CG2' ' A' ' 33' ' ' THR . 0.0 OUTLIER 54.85 46.98 23.34 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.668 -0.645 . . . . 0.0 109.3 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.529 ' CG2' ' O ' ' A' ' 32' ' ' HIS . 9.6 t 40.22 48.91 2.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.656 -0.652 . . . . 0.0 109.687 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.421 -179.744 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' ALA . 7.1 p -43.81 -48.48 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.176 -0.953 . . . . 0.0 109.521 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.466 ' HB2' ' HB2' ' A' ' 6' ' ' GLN . 86.0 p -74.91 154.51 38.15 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.211 -0.931 . . . . 0.0 109.297 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 5' ' ' HIS . 1.1 tt0 -54.14 -97.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.177 -0.952 . . . . 0.0 109.726 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.562 ' ND1' ' NE2' ' A' ' 9' ' ' HIS . 1.0 OUTLIER -82.82 -28.21 30.35 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.188 -0.945 . . . . 0.0 109.931 -179.546 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.486 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 1.6 mm100 -43.62 163.46 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.298 -0.877 . . . . 0.0 108.788 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 73.11 -52.05 0.71 Allowed 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.986 -1.071 . . . . 0.0 109.434 -179.371 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.483 HD13 ' HD3' ' A' ' 21' ' ' ARG . 30.1 tp -64.02 -29.84 70.96 Favored 'General case' 0 C--N 1.309 -1.157 0 O-C-N 120.794 -1.191 . . . . 0.0 109.924 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.573 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 10.0 m170 -99.68 -30.7 11.95 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 122.656 1.217 . . . . 0.0 108.011 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.468 ' HB3' ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -33.26 104.2 0.03 OUTLIER 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 114.406 -1.27 . . . . 0.0 110.958 178.528 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -62.43 111.24 1.94 Allowed 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.129 -0.982 . . . . 0.0 109.678 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 14' ' ' SER . . . 137.21 -18.29 3.51 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.625 ' O ' ' O ' ' A' ' 14' ' ' SER . 1.4 mmtp -68.18 62.01 0.09 Allowed 'General case' 0 CA--C 1.481 -1.698 0 O-C-N 121.811 -0.817 . . . . 0.0 109.621 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.625 ' O ' ' O ' ' A' ' 13' ' ' LYS . 0.7 OUTLIER 45.22 99.01 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 179.764 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.564 ' C ' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -37.37 -29.62 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 179.015 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.607 ' N ' ' O ' ' A' ' 14' ' ' SER . 39.7 mm-40 -33.82 -40.5 0.08 Allowed 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 172.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.479 ' C ' ' N ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -85.47 -50.83 6.96 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 119.671 -0.812 . . . . 0.0 109.497 179.65 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.542 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 1.6 mm? -46.68 -27.85 1.31 Allowed 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 177.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -66.63 -54.01 27.97 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 177.736 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.617 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 2.7 ptm180 -57.82 -30.66 65.91 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.591 -0.844 . . . . 0.0 109.257 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.483 ' HD3' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -58.43 -29.79 66.4 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 105.506 -2.035 . . . . 0.0 105.506 176.652 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.547 ' O ' ' C ' ' A' ' 23' ' ' PHE . 26.8 m-85 -96.51 -23.57 16.49 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.617 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -22.71 -78.74 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.501 0 CA-C-O 121.525 0.678 . . . . 0.0 110.148 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' O ' HG12 ' A' ' 28' ' ' ILE . 4.8 mp -64.64 -37.47 87.7 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.511 -0.743 . . . . 0.0 109.061 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 22' ' ' PHE . 2.1 t-160 -54.76 -43.36 72.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.143 -0.973 . . . . 0.0 109.209 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.527 ' O ' ' N ' ' A' ' 29' ' ' ALA . 2.0 t60 -63.63 -69.18 0.29 Allowed 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.37 -0.832 . . . . 0.0 110.038 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.7 mt -47.71 -27.07 1.78 Allowed 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.443 -0.786 . . . . 0.0 109.429 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 17.6 mm -80.26 -18.56 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.257 -0.902 . . . . 0.0 109.267 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 26' ' ' HIS . . . 164.65 133.49 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.428 -0.795 . . . . 0.0 109.133 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -69.93 56.48 0.14 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.275 -0.89 . . . . 0.0 109.846 -179.727 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 33' ' ' THR . 3.3 mp 42.78 35.82 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.337 -0.852 . . . . 0.0 109.513 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 32' ' ' HIS . 0.3 OUTLIER -53.46 87.04 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.747 -0.596 . . . . 0.0 109.603 -179.843 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 31' ' ' ILE . 32.4 p 43.6 74.76 0.11 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.879 . . . . 0.0 109.407 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 118.066 -0.969 . . . . 0.0 109.551 -179.885 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 1' ' ' ALA . 37.9 t -42.42 162.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.319 -0.863 . . . . 0.0 109.783 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -46.1 119.48 2.31 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.287 -0.883 . . . . 0.0 109.1 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 6' ' ' GLN . 9.0 tm-20 -53.67 -43.52 68.93 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 0.0 109.483 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.55 ' CE1' HD22 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -45.29 -22.87 0.14 Allowed 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.39 -0.819 . . . . 0.0 110.331 -179.48 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 8' ' ' LEU . 4.2 mm-40 -47.67 171.8 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.458 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 69.48 -70.22 0.15 Allowed 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 -177.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.55 HD22 ' CE1' ' A' ' 5' ' ' HIS . 4.0 tp -65.63 -31.49 72.54 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 176.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.61 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 10.7 t-160 -98.22 41.37 1.13 Allowed 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.731 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 9' ' ' HIS . 9.1 t0 -30.02 147.61 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 121.281 0.562 . . . . 0.0 110.569 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' C ' HG12 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -86.05 30.93 0.65 Allowed 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.113 -0.992 . . . . 0.0 109.97 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.516 ' HA2' HD12 ' A' ' 15' ' ' ILE . . . -137.66 11.35 3.72 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.552 ' O ' ' C ' ' A' ' 14' ' ' SER . 24.8 mmtp -118.2 126.2 51.71 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.351 -1.088 . . . . 0.0 110.435 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.552 ' C ' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 31.4 40.27 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 122.957 1.361 . . . . 0.0 109.222 -178.848 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.542 HG13 ' N ' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -93.15 -41.66 12.77 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.359 0 N-CA-C 103.465 -2.791 . . . . 0.0 103.465 177.151 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.484 ' O ' ' HB3' ' A' ' 19' ' ' ARG . 1.2 mm-40 -75.31 -22.17 57.89 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 104.257 -2.498 . . . . 0.0 104.257 174.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.485 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 3.0 t70 -89.86 -36.93 14.78 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.599 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 2.7 mt -54.07 -33.75 58.31 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 177.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.553 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -57.03 -41.13 78.02 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 114.606 -1.179 . . . . 0.0 108.134 178.002 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.638 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -84.37 -26.0 28.71 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.521 ' HB2' ' HA ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -65.94 -29.51 69.93 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 104.723 -2.325 . . . . 0.0 104.723 175.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.599 ' CZ ' ' CD2' ' A' ' 18' ' ' LEU . 19.3 m-85 -95.73 -21.18 18.33 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.638 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -24.11 -69.05 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.315 0 CA-C-O 121.523 0.678 . . . . 0.0 110.54 -179.372 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.5 HD23 ' HB3' ' A' ' 23' ' ' PHE . 1.3 mm? -75.43 -37.23 60.54 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.552 -0.717 . . . . 0.0 109.434 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.422 ' HA ' ' CG2' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -67.19 -12.73 60.82 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.042 -1.036 . . . . 0.0 110.248 -179.412 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.571 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -86.52 -68.56 0.73 Allowed 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.025 -1.047 . . . . 0.0 110.904 -179.255 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -68.9 -2.53 9.92 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.225 -0.922 . . . . 0.0 110.626 -178.697 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.482 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 14.9 tt -93.62 -0.49 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.823 -1.173 . . . . 0.0 109.595 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 28' ' ' ILE . . . 165.42 120.57 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.195 -0.94 . . . . 0.0 109.433 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 1.7 pt-20 -167.97 123.05 0.99 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.325 -0.859 . . . . 0.0 109.292 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.4 mm 48.0 40.93 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.262 -0.899 . . . . 0.0 109.411 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.426 ' O ' ' O ' ' A' ' 33' ' ' THR . 70.3 m-70 45.99 84.16 0.03 OUTLIER 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.716 -0.615 . . . . 0.0 109.738 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 32' ' ' HIS . 8.8 p 53.65 101.36 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.292 -0.88 . . . . 0.0 109.696 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.434 179.837 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.518 HG21 ' N ' ' A' ' 3' ' ' SER . 3.4 p -42.45 146.01 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.32 -0.862 . . . . 0.0 109.749 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.518 ' N ' HG21 ' A' ' 2' ' ' VAL . 8.1 t -77.86 173.95 11.56 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.252 -0.905 . . . . 0.0 109.338 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 5' ' ' HIS . 1.0 OUTLIER -71.24 -71.06 0.28 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.24 -0.913 . . . . 0.0 109.302 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -44.21 -34.13 1.78 Allowed 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.275 -0.891 . . . . 0.0 109.535 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.518 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -44.92 160.53 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.435 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.518 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER 74.47 -51.66 0.68 Allowed 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.098 -1.001 . . . . 0.0 109.625 -179.683 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.514 ' CD1' ' O ' ' A' ' 8' ' ' LEU . 6.8 tp -64.88 -14.22 58.95 Favored 'General case' 0 C--N 1.311 -1.101 0 O-C-N 120.859 -1.15 . . . . 0.0 110.0 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.514 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 11.3 m170 -70.61 -28.97 65.25 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 122.801 1.286 . . . . 0.0 107.731 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.0 OUTLIER -39.62 -28.98 0.05 OUTLIER 'General case' 0 C--N 1.283 -2.32 0 CA-C-N 114.246 -1.343 . . . . 0.0 110.113 178.031 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -42.69 91.37 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.53 -0.731 . . . . 0.0 109.519 -179.553 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . 163.42 -28.22 0.23 Allowed Glycine 0 N--CA 1.485 1.953 0 N-CA-C 108.459 -1.856 . . . . 0.0 108.459 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 12' ' ' GLY . 66.4 mmtt -56.35 -164.38 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.222 0 O-C-N 121.536 -0.979 . . . . 0.0 109.836 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.524 ' HB3' ' NH1' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -69.8 62.42 0.18 Allowed 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.639 1.209 . . . . 0.0 111.035 -178.117 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.526 HD11 ' N ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -119.05 -42.99 2.54 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.374 0 N-CA-C 103.504 -2.776 . . . . 0.0 103.504 176.332 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.526 ' N ' HD11 ' A' ' 15' ' ' ILE . 3.6 mm-40 -73.36 -28.42 62.03 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 104.378 -2.453 . . . . 0.0 104.378 174.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -89.98 -35.95 15.25 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.58 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -50.5 -29.52 10.7 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 105.724 -1.954 . . . . 0.0 105.724 177.173 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.507 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.5 ttm-85 -67.83 -63.33 1.08 Allowed 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.68 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 21.7 ttm-85 -55.74 -33.93 64.71 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 17' ' ' ASP . 0.7 OUTLIER -52.14 -34.66 45.56 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 105.337 -2.097 . . . . 0.0 105.337 176.771 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.602 ' O ' ' N ' ' A' ' 26' ' ' HIS . 23.7 m-85 -90.17 -28.13 19.11 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 177.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.68 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -11.27 -75.9 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.387 0 CA-C-O 121.508 0.67 . . . . 0.0 111.367 -179.19 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.86 -31.82 31.38 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.575 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.1 m170 -63.47 -21.78 66.51 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.155 -0.965 . . . . 0.0 109.18 179.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.602 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.1 t60 -86.37 -73.78 0.45 Allowed 'General case' 0 N--CA 1.481 1.084 0 O-C-N 121.084 -1.01 . . . . 0.0 110.422 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.448 HD22 ' N ' ' A' ' 27' ' ' LEU . 5.5 mt -51.17 -46.68 62.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.401 -0.812 . . . . 0.0 109.981 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.512 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 14.9 mt -97.6 46.1 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.148 -0.97 . . . . 0.0 109.547 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 28' ' ' ILE . . . 162.35 117.41 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.54 -0.725 . . . . 0.0 109.058 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.544 ' O ' HG13 ' A' ' 31' ' ' ILE . 17.2 pt-20 -153.43 121.28 6.04 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.457 -0.777 . . . . 0.0 109.614 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER 31.4 84.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 CA-C-O 122.092 0.949 . . . . 0.0 110.593 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.482 ' O ' ' O ' ' A' ' 33' ' ' THR . 11.8 m-70 40.7 53.01 3.16 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.793 -0.567 . . . . 0.0 110.356 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.482 ' O ' ' O ' ' A' ' 32' ' ' HIS . 0.2 OUTLIER 44.68 96.03 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.326 -0.858 . . . . 0.0 109.839 179.428 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HB1' HD13 ' A' ' 31' ' ' ILE . . . . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.387 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.453 HG21 ' N ' ' A' ' 3' ' ' SER . 2.7 p -42.18 152.53 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.427 -0.795 . . . . 0.0 109.641 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -87.59 146.61 25.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.206 -0.934 . . . . 0.0 109.449 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.6 tm-20 -61.66 -65.92 0.62 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.246 -0.908 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.47 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -43.51 -38.45 2.9 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.382 -0.824 . . . . 0.0 109.641 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 1.2 mm-40 -45.51 159.09 0.07 Allowed 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.148 -0.97 . . . . 0.0 108.691 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.513 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER 75.35 -51.84 0.65 Allowed 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.182 -0.948 . . . . 0.0 109.577 -179.696 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 2.5 tm? -61.03 -18.65 58.93 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 120.929 -1.107 . . . . 0.0 109.744 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.555 ' O ' ' N ' ' A' ' 11' ' ' LYS . 12.0 m170 -64.29 -69.95 0.25 Allowed 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.592 ' O ' ' C ' ' A' ' 11' ' ' LYS . 4.3 t0 28.02 -88.27 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.596 176.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.4 OUTLIER 1.37 83.95 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.324 0 CA-C-O 121.374 0.607 . . . . 0.0 111.591 179.62 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 14' ' ' SER . . . 143.74 -21.04 2.18 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 108.416 -1.874 . . . . 0.0 108.416 -179.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.627 ' O ' ' O ' ' A' ' 14' ' ' SER . 9.6 mmtt -68.41 62.04 0.09 Allowed 'General case' 0 CA--C 1.482 -1.635 0 O-C-N 121.761 -0.847 . . . . 0.0 109.075 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.627 ' O ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 46.05 98.28 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 -179.456 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.559 ' C ' ' O ' ' A' ' 14' ' ' SER . 0.5 OUTLIER -36.56 -30.2 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 179.092 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.619 ' N ' ' O ' ' A' ' 14' ' ' SER . 16.6 mm-40 -33.81 -40.45 0.08 Allowed 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 172.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.525 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 6.4 t0 -87.0 -45.41 10.79 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 119.724 -0.79 . . . . 0.0 109.289 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.568 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -47.63 -27.27 1.8 Allowed 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 177.095 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -71.9 -54.49 9.87 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.811 177.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.631 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 8.1 ptm180 -57.35 -30.36 64.76 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.152 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.453 ' NE ' HD12 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -58.42 -28.59 65.39 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 105.637 -1.986 . . . . 0.0 105.637 176.571 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 21.8 m-85 -97.35 -23.79 15.95 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.631 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -24.98 -75.81 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.408 0 CA-C-O 121.501 0.667 . . . . 0.0 110.413 -179.494 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.6 -45.09 76.48 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.488 -0.758 . . . . 0.0 109.003 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.463 ' O ' HG21 ' A' ' 28' ' ' ILE . 4.7 t-160 -48.24 -28.31 2.98 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.107 -0.996 . . . . 0.0 108.794 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.7 t60 -78.2 -50.68 11.47 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.299 -0.876 . . . . 0.0 109.991 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 mt -84.43 53.17 2.56 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.356 -0.84 . . . . 0.0 109.872 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.463 HG21 ' O ' ' A' ' 25' ' ' HIS . 6.9 tp -155.36 -37.25 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.319 -0.863 . . . . 0.0 109.552 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 28' ' ' ILE . . . 170.9 138.7 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.149 -0.97 . . . . 0.0 109.731 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.465 ' O ' ' CD1' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -140.97 66.42 1.37 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.335 -0.853 . . . . 0.0 109.571 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.465 ' CD1' ' O ' ' A' ' 30' ' ' GLU . 2.5 mm -138.81 116.72 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.298 -0.876 . . . . 0.0 108.875 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.419 ' C ' ' OG1' ' A' ' 33' ' ' THR . 5.1 m-70 43.75 57.84 3.85 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.302 -0.874 . . . . 0.0 109.258 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.435 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER 60.37 164.66 0.07 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.22 -0.925 . . . . 0.0 109.47 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 33' ' ' THR . . . . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.47 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.511 ' O ' ' O ' ' A' ' 3' ' ' SER . 7.2 p -43.54 -35.92 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.199 -0.938 . . . . 0.0 109.572 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.511 ' O ' ' O ' ' A' ' 2' ' ' VAL . 4.9 p 39.5 98.82 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.616 -0.678 . . . . 0.0 110.587 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 3' ' ' SER . 23.6 tt0 -40.28 -44.24 1.87 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.458 -0.776 . . . . 0.0 109.73 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.475 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -45.58 -31.62 1.94 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.37 -0.831 . . . . 0.0 109.707 -179.83 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 1.8 mm100 -44.94 161.14 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.215 -0.928 . . . . 0.0 108.744 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.5 OUTLIER 74.16 -52.35 0.69 Allowed 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.088 -1.008 . . . . 0.0 109.617 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.475 ' HB3' ' O ' ' A' ' 5' ' ' HIS . 33.4 tp -59.69 -29.64 68.24 Favored 'General case' 0 C--N 1.311 -1.068 0 O-C-N 121.027 -1.046 . . . . 0.0 109.825 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' A' ' 11' ' ' LYS . 11.9 m170 -68.76 -62.26 1.46 Allowed 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.21 -0.932 . . . . 0.0 108.504 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.1 t70 28.67 -87.4 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.822 176.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.56 ' N ' ' O ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -40.96 95.58 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.717 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.563 ' O ' ' N ' ' A' ' 14' ' ' SER . . . 132.95 -25.63 3.68 Favored Glycine 0 N--CA 1.484 1.851 0 N-CA-C 108.601 -1.799 . . . . 0.0 108.601 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.596 ' O ' ' O ' ' A' ' 14' ' ' SER . 6.0 mmtp -67.57 63.04 0.07 Allowed 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.495 -1.003 . . . . 0.0 108.793 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.648 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.9 OUTLIER 38.46 97.45 0.0 OUTLIER 'General case' 0 C--O 1.203 -1.393 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -179.82 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.578 ' C ' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -29.96 -37.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 178.599 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.648 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -32.62 -41.44 0.06 Allowed 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 113.823 -1.535 . . . . 0.0 108.168 174.028 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.616 ' N ' ' O ' ' A' ' 14' ' ' SER . 41.9 m-20 -90.34 -43.64 10.2 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 119.711 -0.796 . . . . 0.0 109.274 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.586 HD21 ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -49.22 -28.26 4.43 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 177.362 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -67.76 -44.44 77.48 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.84 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.659 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -69.98 -33.19 71.75 Favored 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 119.076 -1.05 . . . . 0.0 108.872 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -54.92 -27.97 47.24 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 176.333 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.586 ' CE2' HD21 ' A' ' 18' ' ' LEU . 20.5 m-85 -96.37 -26.92 15.17 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.659 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -24.45 -82.37 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.512 0 CA-C-O 121.588 0.709 . . . . 0.0 110.182 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 28' ' ' ILE . 4.3 mt -58.18 -47.55 83.04 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.423 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 3.0 t-160 -44.27 -34.32 1.88 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.393 -0.817 . . . . 0.0 108.907 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.8 OUTLIER -74.95 -74.51 0.2 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.436 -0.79 . . . . 0.0 110.156 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.7 mt -55.7 -44.1 77.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.322 -0.861 . . . . 0.0 109.86 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 24' ' ' LEU . 25.6 mm -76.43 -93.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.103 -0.998 . . . . 0.0 109.396 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.538 ' O ' ' CG ' ' A' ' 30' ' ' GLU . . . -45.66 164.22 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.212 -0.93 . . . . 0.0 109.601 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' A' ' 29' ' ' ALA . 4.7 pt-20 44.01 -173.54 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.577 0.703 . . . . 0.0 110.363 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.53 ' CG1' ' O ' ' A' ' 31' ' ' ILE . 1.3 pp -135.35 86.13 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 CA-C-O 121.669 0.747 . . . . 0.0 109.611 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.466 ' O ' ' CB ' ' A' ' 33' ' ' THR . 28.2 m170 50.76 83.88 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.512 -0.743 . . . . 0.0 109.407 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.475 ' N ' ' OE1' ' A' ' 30' ' ' GLU . 3.0 m 71.72 151.47 0.11 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.171 -0.956 . . . . 0.0 109.414 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 117.984 -1.008 . . . . 0.0 109.523 -179.862 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 1' ' ' ALA . 7.6 p -43.96 -46.08 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.299 -0.876 . . . . 0.0 109.702 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.0 t -117.04 -174.97 2.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 109.534 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 5' ' ' HIS . 0.8 OUTLIER -78.18 -61.38 2.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.346 -0.846 . . . . 0.0 109.718 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.503 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -40.43 -41.56 1.43 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.594 -0.691 . . . . 0.0 110.223 -179.361 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -47.19 160.64 0.09 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.909 -1.119 . . . . 0.0 108.539 179.454 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.515 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 75.64 -50.97 0.63 Allowed 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.151 -0.968 . . . . 0.0 109.753 -179.694 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.503 ' HB3' ' O ' ' A' ' 5' ' ' HIS . 2.8 tp -56.83 -30.58 63.9 Favored 'General case' 0 C--N 1.31 -1.133 0 O-C-N 120.766 -1.208 . . . . 0.0 108.994 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.519 ' O ' ' C ' ' A' ' 10' ' ' ASP . 11.9 m170 -62.87 -61.25 2.53 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.519 ' C ' ' O ' ' A' ' 9' ' ' HIS . 3.0 t0 25.55 89.61 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.762 175.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -43.61 99.89 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.199 -0.938 . . . . 0.0 109.383 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 151.39 -35.02 0.89 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.371 -1.491 . . . . 0.0 109.371 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' A' ' 15' ' ' ILE . 53.9 mmtt -56.62 -162.08 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.368 -1.078 . . . . 0.0 110.166 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 1.3 m -68.1 58.86 0.07 Allowed 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 122.357 1.075 . . . . 0.0 110.784 -178.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.582 ' N ' ' CD1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -113.18 -46.92 5.34 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 N-CA-C 102.625 -3.102 . . . . 0.0 102.625 176.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.48 ' O ' ' HB3' ' A' ' 19' ' ' ARG . 4.5 mt-30 -64.56 -31.23 72.36 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 173.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -88.39 -41.39 12.85 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.353 179.455 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.542 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 9.3 tp -50.74 -27.21 6.68 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 177.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.521 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -66.66 -44.58 81.49 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 177.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.595 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -72.98 -5.81 41.19 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.02 -35.84 36.71 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 103.922 -2.622 . . . . 0.0 103.922 175.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.542 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 29.7 m-85 -86.34 -24.27 25.9 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 176.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.595 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -20.91 -73.88 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.316 0 CA-C-O 121.476 0.655 . . . . 0.0 110.596 179.765 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mt -69.99 -38.32 75.98 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.4 t-160 -54.57 -44.92 73.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.242 -0.912 . . . . 0.0 109.034 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 29' ' ' ALA . 4.1 t60 -55.16 -66.21 0.45 Allowed 'General case' 0 C--N 1.307 -1.274 0 O-C-N 121.265 -0.897 . . . . 0.0 109.601 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 26' ' ' HIS . 89.9 mt -43.74 -54.04 5.42 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.474 -0.766 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 60.9 mt -49.6 -26.88 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.259 -0.901 . . . . 0.0 109.229 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' HIS . . . 165.76 124.83 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.289 -0.882 . . . . 0.0 109.49 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.413 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 1.6 pt-20 -83.59 173.72 11.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.31 -0.869 . . . . 0.0 109.579 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' HIS . 0.2 OUTLIER -78.71 104.94 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.245 -0.909 . . . . 0.0 109.2 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.554 ' N ' ' CD2' ' A' ' 32' ' ' HIS . 0.1 OUTLIER -43.67 150.9 0.21 Allowed 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.463 -0.773 . . . . 0.0 109.526 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.3 m -114.67 84.23 2.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.908 . . . . 0.0 109.409 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 118.05 -0.976 . . . . 0.0 109.514 -179.827 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.498 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.512 HG11 ' N ' ' A' ' 3' ' ' SER . 1.5 p 42.08 -168.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 O-C-N 121.508 -0.745 . . . . 0.0 109.956 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.512 ' N ' HG11 ' A' ' 2' ' ' VAL . 13.4 t -80.8 113.19 18.84 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.995 -1.066 . . . . 0.0 109.414 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 5' ' ' HIS . 80.6 tt0 -69.49 -37.53 77.25 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.372 -0.83 . . . . 0.0 109.657 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.483 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -42.24 -26.91 0.12 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.42 -0.8 . . . . 0.0 110.088 -179.307 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -50.07 174.86 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 178.65 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER 68.55 -67.01 0.22 Allowed 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -178.271 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 6' ' ' GLN . 9.0 tp -66.66 -32.41 73.71 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 176.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.634 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 9.3 t-160 -93.76 38.07 1.07 Allowed 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.584 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 9' ' ' HIS . 54.9 t0 -33.33 92.37 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.426 -0.797 . . . . 0.0 110.574 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HG2' ' CE1' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -63.41 116.91 5.98 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.257 -0.902 . . . . 0.0 109.706 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.568 ' O ' ' N ' ' A' ' 14' ' ' SER . . . 135.63 -26.14 3.2 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.57 ' O ' ' O ' ' A' ' 14' ' ' SER . 0.4 OUTLIER -65.71 70.59 0.05 Allowed 'General case' 0 CA--C 1.485 -1.536 0 O-C-N 121.515 -0.991 . . . . 0.0 108.776 178.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.601 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.4 OUTLIER 28.23 99.73 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.364 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.552 ' C ' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -35.27 -33.46 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 178.171 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.601 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -33.89 -40.4 0.08 Allowed 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 113.849 -1.523 . . . . 0.0 107.979 173.483 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 14' ' ' SER . 21.0 m-20 -87.08 -45.3 10.84 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 119.636 -0.826 . . . . 0.0 109.295 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.564 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.5 OUTLIER -47.61 -27.01 1.66 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 177.154 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -72.25 -52.01 18.33 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.911 -1.041 . . . . 0.0 108.983 178.158 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.619 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 7.7 ptm180 -59.36 -32.89 70.53 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 119.154 -1.018 . . . . 0.0 109.293 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -28.84 57.66 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 176.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 23.1 m-85 -96.96 -24.89 15.61 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.619 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -23.11 -78.61 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.525 0 CA-C-O 121.385 0.612 . . . . 0.0 110.203 -179.828 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 25' ' ' HIS . 0.8 OUTLIER -63.08 -38.83 92.75 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.01 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 22' ' ' PHE . 3.0 t60 -44.31 -37.16 3.13 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 27' ' ' LEU . 2.3 t60 -76.26 -68.23 0.61 Allowed 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.635 -0.666 . . . . 0.0 109.645 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 29' ' ' ALA . 75.4 mt -51.0 -178.92 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.497 -0.752 . . . . 0.0 109.824 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.428 ' HB ' ' O ' ' A' ' 27' ' ' LEU . 23.5 mm 66.8 -59.85 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.403 -0.81 . . . . 0.0 109.773 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -163.52 90.83 0.65 Allowed 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.21 -0.931 . . . . 0.0 109.33 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.41 147.08 52.59 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.387 -0.821 . . . . 0.0 109.776 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -55.54 113.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.356 -0.84 . . . . 0.0 109.047 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.563 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 57.7 t60 -71.94 55.31 0.29 Allowed 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.952 -0.467 . . . . 0.0 109.808 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 32' ' ' HIS . 36.8 p 41.77 57.41 3.12 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.311 -0.868 . . . . 0.0 109.62 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.65 -179.85 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.281 0.563 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.1 p -52.12 153.09 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.201 -0.937 . . . . 0.0 109.849 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 t -139.94 148.97 42.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 0.0 109.346 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 22.8 tt0 -65.72 -56.42 12.14 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.261 -0.9 . . . . 0.0 109.632 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.453 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 0.4 OUTLIER -47.95 -22.13 0.54 Allowed 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.285 -0.884 . . . . 0.0 110.012 -179.513 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 10' ' ' ASP . 0.5 OUTLIER -84.86 21.53 1.56 Allowed 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.16 -0.962 . . . . 0.0 110.481 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -102.0 -66.7 0.91 Allowed 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 178.21 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.577 ' CD1' ' N ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -61.51 -44.6 96.77 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 177.115 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.644 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 7.4 t-160 -93.96 44.21 1.12 Allowed 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.476 ' HA ' ' O ' ' A' ' 6' ' ' GLN . 2.8 t70 -39.07 92.34 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.336 -0.852 . . . . 0.0 110.455 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' A' ' 9' ' ' HIS . 3.0 tmtt? -63.76 103.63 0.58 Allowed 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.328 -0.858 . . . . 0.0 109.109 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 14' ' ' SER . . . 141.57 -15.53 2.68 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.583 ' O ' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -68.43 62.05 0.09 Allowed 'General case' 0 CA--C 1.481 -1.702 0 O-C-N 121.62 -0.929 . . . . 0.0 109.17 179.058 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.617 ' O ' ' N ' ' A' ' 16' ' ' GLN . 7.8 p 42.46 95.09 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.564 ' C ' ' O ' ' A' ' 14' ' ' SER . 0.6 OUTLIER -36.07 -31.74 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 179.291 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.617 ' N ' ' O ' ' A' ' 14' ' ' SER . 41.8 mm-40 -31.78 -42.09 0.05 Allowed 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.293 -1.321 . . . . 0.0 107.652 172.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -87.9 -49.77 6.87 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 119.589 -0.845 . . . . 0.0 109.875 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.576 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 49.1 tp -49.49 -26.82 3.68 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -65.2 -44.52 88.11 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 177.704 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.625 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -71.82 -15.5 62.15 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.49 -33.05 68.92 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 104.756 -2.312 . . . . 0.0 104.756 176.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.611 ' O ' ' N ' ' A' ' 26' ' ' HIS . 24.7 m-85 -93.53 -20.61 20.09 Favored 'General case' 0 C--O 1.203 -1.35 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 177.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.625 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -23.88 -54.61 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.344 0 CA-C-O 121.557 0.694 . . . . 0.0 110.617 -179.498 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.6 mt -94.45 -26.65 16.39 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.412 -0.805 . . . . 0.0 108.968 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 22' ' ' PHE . 7.0 t60 -76.48 -21.54 55.69 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.309 -0.869 . . . . 0.0 109.684 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.611 ' N ' ' O ' ' A' ' 22' ' ' PHE . 2.1 t60 -78.36 -49.99 12.57 Favored 'General case' 0 C--N 1.308 -1.234 0 O-C-N 121.228 -0.92 . . . . 0.0 110.733 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.9 mt -79.25 9.19 4.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.353 -0.842 . . . . 0.0 110.106 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.451 HG23 ' HA ' ' A' ' 25' ' ' HIS . 2.6 tp -120.31 -10.46 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 120.984 -1.073 . . . . 0.0 109.638 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 28' ' ' ILE . . . 170.58 159.54 0.07 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.202 -0.936 . . . . 0.0 109.939 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -171.84 136.52 0.92 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.383 -0.823 . . . . 0.0 109.1 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.19 39.97 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.037 -1.039 . . . . 0.0 109.9 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.4 ' C ' ' OG1' ' A' ' 33' ' ' THR . 37.5 m-70 -107.58 51.17 0.75 Allowed 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.558 -0.714 . . . . 0.0 109.436 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 32' ' ' HIS . 0.2 OUTLIER 49.04 58.33 5.49 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.26 -0.9 . . . . 0.0 109.163 -179.635 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 118.022 -0.989 . . . . 0.0 109.457 -179.797 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.481 ' O ' ' O ' ' A' ' 3' ' ' SER . 4.9 p -45.83 -25.51 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.121 -0.987 . . . . 0.0 109.455 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.481 ' O ' ' O ' ' A' ' 2' ' ' VAL . 5.1 p 38.53 97.04 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.56 -0.713 . . . . 0.0 110.763 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 5' ' ' HIS . 53.4 tt0 -43.36 -47.4 6.81 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.215 -0.928 . . . . 0.0 109.815 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.484 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -42.19 -31.27 0.36 Allowed 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.442 -0.786 . . . . 0.0 110.236 -179.209 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 5.0 mm100 -49.07 172.85 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER 71.93 -66.71 0.29 Allowed 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 -178.233 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 6' ' ' GLN . 2.4 tp -71.41 -37.35 71.51 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 177.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.513 ' O ' ' C ' ' A' ' 10' ' ' ASP . 12.1 t-80 -71.49 -5.16 31.02 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.935 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' A' ' 9' ' ' HIS . 4.2 t0 28.07 79.85 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.243 0.544 . . . . 0.0 111.64 178.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -46.9 -25.13 0.71 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.13 -0.981 . . . . 0.0 108.875 179.225 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.587 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . -178.21 -28.68 0.04 OUTLIER Glycine 0 N--CA 1.491 2.301 0 C-N-CA 119.886 -1.149 . . . . 0.0 110.276 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.601 ' N ' HG13 ' A' ' 15' ' ' ILE . 41.2 mmtt 52.14 133.93 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.589 -0.948 . . . . 0.0 111.752 178.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.562 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.9 OUTLIER 39.08 35.86 0.15 Allowed 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 123.239 1.495 . . . . 0.0 107.149 -177.84 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.601 HG13 ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -84.78 -52.37 12.55 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.03 0 N-CA-C 103.041 -2.948 . . . . 0.0 103.041 178.46 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.458 ' O ' ' HB3' ' A' ' 19' ' ' ARG . 2.9 mt-30 -63.99 -19.64 65.31 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 174.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.524 ' HB2' ' CA ' ' A' ' 14' ' ' SER . 5.7 m-20 -92.63 -31.37 15.18 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.587 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 1.6 pp -47.24 -29.01 2.14 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 177.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.8 ttm180 -69.15 -53.28 20.94 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 114.355 -1.293 . . . . 0.0 107.91 176.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.629 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 6.5 ptm180 -67.43 -35.36 79.1 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.73 -27.9 31.1 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 176.452 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 12.6 m-30 -97.06 -27.24 14.68 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.629 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -22.16 -76.12 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.475 0 CA-C-O 121.502 0.668 . . . . 0.0 110.394 -179.797 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mt -66.92 -42.2 85.77 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.426 -0.796 . . . . 0.0 108.862 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.8 OUTLIER -48.42 -39.19 21.78 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.235 -0.915 . . . . 0.0 108.747 179.496 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.451 ' O ' ' O ' ' A' ' 29' ' ' ALA . 1.7 t60 -68.33 -62.34 1.44 Allowed 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.487 -0.758 . . . . 0.0 109.931 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 29' ' ' ALA . 49.0 mt -63.38 -166.92 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.435 -0.791 . . . . 0.0 109.727 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.487 ' HB ' ' O ' ' A' ' 27' ' ' LEU . 90.3 mt 66.04 -57.64 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.534 -0.729 . . . . 0.0 109.864 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -146.85 178.52 8.27 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.174 -0.954 . . . . 0.0 109.261 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' A' ' 29' ' ' ALA . 3.3 mt-10 59.19 114.16 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.091 -1.005 . . . . 0.0 109.493 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.547 ' C ' ' CG ' ' A' ' 32' ' ' HIS . 16.4 mm -133.76 36.96 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.146 -0.972 . . . . 0.0 109.321 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.547 ' CG ' ' C ' ' A' ' 31' ' ' ILE . 0.8 OUTLIER 165.4 71.85 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.97 54.78 0.88 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -0.852 . . . . 0.0 109.535 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.492 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.233 0.539 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.524 HG21 ' N ' ' A' ' 3' ' ' SER . 13.3 p -44.98 149.13 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.313 -0.867 . . . . 0.0 109.565 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.524 ' N ' HG21 ' A' ' 2' ' ' VAL . 14.7 p -56.57 177.66 0.07 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.411 -0.805 . . . . 0.0 109.56 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 6' ' ' GLN . 7.8 tt0 -103.45 -35.39 8.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.236 -0.915 . . . . 0.0 109.541 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.478 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -40.76 -28.37 0.07 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.584 -0.698 . . . . 0.0 109.959 -179.476 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -46.94 168.5 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.049 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.8 OUTLIER 68.01 -69.16 0.15 Allowed 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.668 -1.27 . . . . 0.0 107.673 -178.457 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 6' ' ' GLN . 17.6 tp -61.36 -52.93 62.57 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 177.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.486 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 0.7 OUTLIER -42.7 -68.97 0.15 Allowed 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.155 178.264 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.486 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 8.8 t0 -94.29 68.08 3.58 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.554 -0.716 . . . . 0.0 109.807 -179.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ASP . 3.2 tttt -44.2 -37.36 3.13 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.082 -1.011 . . . . 0.0 109.23 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.639 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 159.9 36.88 0.02 OUTLIER Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.639 ' O ' ' O ' ' A' ' 12' ' ' GLY . 39.3 mmtm -23.56 151.9 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.372 0 CA-C-O 121.993 0.901 . . . . 0.0 112.18 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.623 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER 48.83 35.17 6.1 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 103.248 -2.871 . . . . 0.0 103.248 -175.782 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -76.36 -57.95 5.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 104.483 -2.414 . . . . 0.0 104.483 -179.134 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.509 ' O ' ' HB3' ' A' ' 19' ' ' ARG . 15.9 mm-40 -57.02 -19.99 21.72 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 105.284 -2.117 . . . . 0.0 105.284 175.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.519 ' OD2' ' NH2' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -88.29 -39.93 14.01 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.705 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.623 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.4 OUTLIER -49.47 -29.11 6.12 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 177.119 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -68.41 -49.65 58.47 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.712 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.598 ' HA ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -73.32 -10.68 60.01 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.696 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.519 ' NH2' ' OD2' ' A' ' 17' ' ' ASP . 1.0 OUTLIER -76.15 -34.3 59.39 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 104.443 -2.428 . . . . 0.0 104.443 176.154 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 25.5 m-85 -90.42 -23.94 20.9 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.598 ' CD1' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -17.48 -76.25 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.327 0 CA-C-O 121.319 0.58 . . . . 0.0 111.087 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.505 HD11 ' N ' ' A' ' 24' ' ' LEU . 10.0 mp -78.09 -29.4 49.02 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.326 -0.859 . . . . 0.0 108.996 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -65.87 -22.12 66.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.255 -0.903 . . . . 0.0 109.547 179.726 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.583 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.4 t60 -85.35 -74.03 0.42 Allowed 'General case' 0 C--N 1.309 -1.183 0 O-C-N 121.173 -0.955 . . . . 0.0 110.371 -179.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mt -47.46 -66.66 0.37 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.34 -0.85 . . . . 0.0 109.47 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.5 HG23 ' N ' ' A' ' 29' ' ' ALA . 70.8 mt -68.03 -90.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.229 -0.919 . . . . 0.0 109.188 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.5 ' N ' HG23 ' A' ' 28' ' ' ILE . . . -54.87 170.16 0.19 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.381 -0.825 . . . . 0.0 109.397 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -155.09 92.9 1.48 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.239 -0.913 . . . . 0.0 109.058 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.545 ' O ' ' N ' ' A' ' 33' ' ' THR . 2.2 mm -107.48 43.54 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.296 -0.878 . . . . 0.0 109.561 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -55.38 82.06 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.732 -0.605 . . . . 0.0 109.749 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 31' ' ' ILE . 98.1 m -132.72 71.66 1.48 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.154 -0.966 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.56 -179.818 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 1' ' ' ALA . 7.6 p -43.97 161.77 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.339 -0.85 . . . . 0.0 109.688 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.08 124.54 19.68 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.195 -0.941 . . . . 0.0 109.321 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.1 tt0 -72.77 -26.5 61.56 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.259 -0.901 . . . . 0.0 109.215 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.534 ' HB3' ' NE2' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -42.82 -28.88 0.28 Allowed 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.426 -0.796 . . . . 0.0 109.979 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.505 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 3.0 mt-30 -42.62 158.41 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.348 -0.845 . . . . 0.0 109.069 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER 76.01 -49.58 0.6 Allowed 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.303 -0.873 . . . . 0.0 109.734 -179.704 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 8' ' ' LEU . 9.5 tp -65.82 -9.77 31.7 Favored 'General case' 0 C--N 1.311 -1.101 0 O-C-N 120.905 -1.122 . . . . 0.0 110.205 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.557 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 10.6 m170 -80.15 -32.17 38.9 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-O 122.814 1.292 . . . . 0.0 108.053 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.464 ' OD1' ' HG2' ' A' ' 13' ' ' LYS . 10.2 t0 -39.33 92.53 0.01 OUTLIER 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 114.336 -1.302 . . . . 0.0 110.204 178.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 9' ' ' HIS . 6.2 ttmm -68.83 -4.49 16.4 Favored 'General case' 0 C--N 1.307 -1.256 0 O-C-N 121.301 -0.874 . . . . 0.0 109.478 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.588 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 140.96 -4.35 2.37 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.614 ' N ' HG13 ' A' ' 15' ' ' ILE . 20.0 mmtt 52.41 131.8 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.204 0 O-C-N 121.661 -0.905 . . . . 0.0 111.684 178.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.568 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.8 OUTLIER 40.64 37.17 0.45 Allowed 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 -177.678 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.614 HG13 ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -87.03 -52.57 11.53 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.16 0 N-CA-C 103.568 -2.753 . . . . 0.0 103.568 178.647 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.493 ' O ' ' HB3' ' A' ' 19' ' ' ARG . 5.5 mt-30 -62.6 -22.41 66.37 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 104.825 -2.287 . . . . 0.0 104.825 174.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.512 ' HB2' ' CA ' ' A' ' 14' ' ' SER . 70.8 m-20 -89.19 -36.66 15.54 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 178.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.586 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 5.5 tp -50.31 -27.76 6.72 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 105.174 -2.158 . . . . 0.0 105.174 176.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.544 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -74.65 -56.15 5.12 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.518 -1.219 . . . . 0.0 108.124 177.767 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.651 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 1.8 ptm180 -63.64 -25.47 68.23 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.214 -0.994 . . . . 0.0 108.696 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -61.37 -30.73 70.71 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 105.031 -2.211 . . . . 0.0 105.031 176.382 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 17.0 m-85 -95.59 -23.58 16.99 Favored 'General case' 0 C--N 1.309 -1.196 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.651 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -27.27 -82.23 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.472 0 CA-C-O 121.66 0.743 . . . . 0.0 110.035 -179.68 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.524 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 1.3 mp -54.88 -46.23 74.72 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -49.14 -38.23 24.56 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.079 -1.013 . . . . 0.0 108.835 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 28' ' ' ILE . 3.2 t60 -66.57 -69.0 0.33 Allowed 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.616 -0.678 . . . . 0.0 110.077 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 26' ' ' HIS . 89.7 mt -36.36 -30.75 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.086 0.47 . . . . 0.0 110.455 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.524 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -107.37 -88.39 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.027 -1.046 . . . . 0.0 109.371 179.626 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.11 123.49 14.63 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.258 -0.901 . . . . 0.0 109.834 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -173.76 140.37 0.76 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.245 -0.909 . . . . 0.0 109.345 179.441 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.464 ' O ' ' O ' ' A' ' 30' ' ' GLU . 3.0 mm 56.12 111.01 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.5 -0.75 . . . . 0.0 109.599 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -78.98 92.62 4.97 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.4 -0.812 . . . . 0.0 109.665 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.35 117.53 8.73 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.2 -0.937 . . . . 0.0 109.391 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.429 179.872 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.52 ' O ' ' O ' ' A' ' 3' ' ' SER . 11.7 p -42.35 -29.98 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.31 -0.869 . . . . 0.0 109.731 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.52 ' O ' ' O ' ' A' ' 2' ' ' VAL . 1.2 p 40.51 101.5 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.637 0.732 . . . . 0.0 110.787 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 3' ' ' SER . 14.2 tt0 -43.01 -34.46 1.0 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.103 -0.998 . . . . 0.0 109.412 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.473 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.7 OUTLIER -50.03 -19.81 0.81 Allowed 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.343 -0.848 . . . . 0.0 110.011 -179.643 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -47.25 170.24 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.146 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER 69.81 -67.47 0.23 Allowed 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -178.286 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 6' ' ' GLN . 12.9 tp -59.61 -44.58 93.38 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 176.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.565 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 1.3 t-80 -48.58 -76.03 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 114.627 -1.17 . . . . 0.0 110.225 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.565 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 13.1 t0 -80.69 -45.68 16.76 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.483 -0.76 . . . . 0.0 110.366 -178.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.538 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 44.08 23.08 0.05 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.347 -0.846 . . . . 0.0 110.751 179.575 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.577 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 110.16 -28.16 10.76 Favored Glycine 0 N--CA 1.491 2.306 0 C-N-CA 119.694 -1.241 . . . . 0.0 110.139 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.637 ' N ' HG13 ' A' ' 15' ' ' ILE . 21.3 mmtp 53.28 133.38 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.623 -0.928 . . . . 0.0 111.683 178.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.581 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER 40.92 36.67 0.44 Allowed 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 -177.149 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.637 HG13 ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -85.89 -55.07 7.14 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.076 0 N-CA-C 103.553 -2.758 . . . . 0.0 103.553 178.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.497 ' O ' ' HB3' ' A' ' 19' ' ' ARG . 98.9 mm-40 -57.34 -23.56 49.62 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 104.922 -2.251 . . . . 0.0 104.922 175.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.444 ' C ' ' N ' ' A' ' 19' ' ' ARG . 9.2 t0 -88.78 -40.24 13.33 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 178.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.62 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 9.2 tp -50.4 -27.43 6.35 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 177.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.519 ' HG2' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -67.54 -61.67 1.78 Allowed 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.189 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.668 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -62.2 -28.02 69.38 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 178.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.515 ' HB2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -54.43 -34.51 61.55 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 104.638 -2.356 . . . . 0.0 104.638 176.189 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.62 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 20.9 m-85 -89.41 -28.63 19.62 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 176.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.668 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -13.58 -78.34 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.555 0 CA-C-O 121.625 0.726 . . . . 0.0 111.136 -178.869 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.79 -36.89 62.5 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -53.5 -31.86 47.86 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.303 -0.873 . . . . 0.0 108.826 179.265 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 22' ' ' PHE . 4.6 t60 -75.86 -49.21 18.58 Favored 'General case' 0 C--N 1.31 -1.114 0 O-C-N 121.275 -0.891 . . . . 0.0 110.159 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -69.84 -30.72 68.28 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.377 -0.827 . . . . 0.0 109.734 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.516 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -108.24 36.65 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.146 -0.972 . . . . 0.0 109.48 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 28' ' ' ILE . . . 162.36 114.38 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.374 -0.829 . . . . 0.0 109.458 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -123.32 153.0 40.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.299 -0.875 . . . . 0.0 109.5 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.542 ' CD1' ' N ' ' A' ' 31' ' ' ILE . 0.4 OUTLIER -80.58 103.71 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.17 -0.956 . . . . 0.0 108.929 179.668 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -44.93 95.7 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.516 -0.74 . . . . 0.0 109.756 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -69.0 87.69 0.38 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.192 -0.942 . . . . 0.0 109.528 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.376 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.52 HG21 ' N ' ' A' ' 3' ' ' SER . 12.4 p -49.79 152.57 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.273 -0.892 . . . . 0.0 109.685 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.52 ' N ' HG21 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -125.96 157.95 36.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.894 . . . . 0.0 109.27 179.828 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.4 tt0 -78.44 -64.44 1.17 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.155 -0.966 . . . . 0.0 109.628 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.467 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -42.3 -35.23 0.94 Allowed 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.374 -0.829 . . . . 0.0 109.97 -179.491 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 2.6 mt-30 -46.3 163.12 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.01 -1.056 . . . . 0.0 108.293 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER 73.08 -52.56 0.71 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.062 -1.024 . . . . 0.0 109.765 -179.693 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 8' ' ' LEU . 9.5 tp -61.37 -19.6 62.05 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 120.893 -1.129 . . . . 0.0 109.815 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.541 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 9.9 m170 -81.13 -30.41 34.53 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.794 1.283 . . . . 0.0 107.902 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.564 ' OD2' ' CG ' ' A' ' 13' ' ' LYS . 1.9 t70 -90.98 12.59 19.19 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.785 -178.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.628 ' HA ' ' HB3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -73.73 42.62 0.14 Allowed 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.997 -1.064 . . . . 0.0 110.105 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.607 ' HA2' ' CB ' ' A' ' 17' ' ' ASP . . . -161.87 15.84 0.15 Allowed Glycine 0 N--CA 1.479 1.565 0 C-N-CA 119.095 -1.526 . . . . 0.0 111.035 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.569 ' O ' HG13 ' A' ' 15' ' ' ILE . 8.1 mmtt -60.62 48.27 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.009 -1.289 . . . . 0.0 112.055 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.568 ' N ' ' O ' ' A' ' 12' ' ' GLY . 2.5 t 56.69 52.77 9.17 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.368 -1.457 . . . . 0.0 108.241 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 164.77 -64.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.349 0 N-CA-C 105.445 -2.058 . . . . 0.0 105.445 -178.311 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.628 ' HB3' ' HA ' ' A' ' 11' ' ' LYS . 3.2 mm-40 -51.37 -25.84 6.78 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 175.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.607 ' CB ' ' HA2' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -95.04 -33.25 12.78 Favored 'General case' 0 C--O 1.205 -1.259 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 177.424 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.599 ' HG ' ' CZ ' ' A' ' 22' ' ' PHE . 4.7 tp -45.91 -29.04 1.26 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 106.152 -1.795 . . . . 0.0 106.152 177.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' PHE . 3.2 ttm-85 -68.62 -51.45 42.11 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.676 -1.147 . . . . 0.0 107.933 177.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.656 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -72.83 -29.16 63.0 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.511 ' HB2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -58.28 -32.31 68.3 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 104.719 -2.326 . . . . 0.0 104.719 176.28 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.599 ' CZ ' ' HG ' ' A' ' 18' ' ' LEU . 14.0 m-30 -92.51 -25.98 18.15 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.656 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -18.55 -77.33 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.509 0 CA-C-O 121.602 0.715 . . . . 0.0 110.712 -179.651 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp -70.82 -36.63 73.03 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.552 ' CE1' ' CD2' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -57.23 -24.95 58.08 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.068 -1.02 . . . . 0.0 109.067 179.742 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.543 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.5 t60 -79.7 -59.59 2.68 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.4 -0.813 . . . . 0.0 110.429 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.5 mt -65.23 -28.66 69.52 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.579 -0.7 . . . . 0.0 110.123 -179.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.538 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 7.1 mm -122.05 43.38 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.127 -0.983 . . . . 0.0 109.507 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 28' ' ' ILE . . . 162.54 -178.48 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.374 -0.829 . . . . 0.0 109.503 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 178.75 143.56 0.12 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.234 -0.916 . . . . 0.0 109.511 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.0 mm 51.07 37.48 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.315 -0.865 . . . . 0.0 109.681 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.552 ' CD2' ' CE1' ' A' ' 25' ' ' HIS . 37.8 t-80 -48.64 110.27 0.33 Allowed 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.719 -0.613 . . . . 0.0 109.382 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 32' ' ' HIS . 24.1 m 53.97 102.57 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.205 -0.935 . . . . 0.0 109.419 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.465 179.822 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 1' ' ' ALA . 2.8 p -44.02 146.98 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.286 -0.884 . . . . 0.0 109.489 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.35 158.92 28.64 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.277 -0.889 . . . . 0.0 109.652 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' HIS . 30.4 tt0 -97.69 -59.79 1.7 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.268 -0.895 . . . . 0.0 109.47 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.559 ' O ' ' N ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -42.78 -27.68 0.19 Allowed 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.364 -0.835 . . . . 0.0 110.023 -179.761 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -45.65 167.54 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.405 179.63 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.471 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 70.81 -63.32 0.42 Allowed 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 -178.404 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 6' ' ' GLN . 10.8 tp -75.24 -30.71 60.59 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.559 ' N ' ' O ' ' A' ' 5' ' ' HIS . 6.6 t-80 -59.29 -34.44 72.28 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.137 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.599 ' O ' ' N ' ' A' ' 12' ' ' GLY . 5.1 t0 26.87 -89.04 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.239 0 CA-C-O 120.774 0.321 . . . . 0.0 111.555 178.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -40.69 89.83 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . 145.52 -31.89 1.64 Allowed Glycine 0 N--CA 1.481 1.66 0 N-CA-C 106.381 -2.687 . . . . 0.0 106.381 -178.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.595 ' O ' ' O ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -70.28 62.13 0.22 Allowed 'General case' 0 CA--C 1.479 -1.788 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 176.595 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.653 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER 53.26 92.64 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 104.542 -2.392 . . . . 0.0 104.542 -176.295 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.58 ' CD1' ' N ' ' A' ' 16' ' ' GLN . 2.8 pp -34.29 -32.16 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.653 ' N ' ' O ' ' A' ' 14' ' ' SER . 12.7 mm-40 -31.06 -38.44 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 173.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.569 ' CB ' ' NH2' ' A' ' 21' ' ' ARG . 7.7 m-20 -87.56 -50.92 6.2 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 114.859 -1.064 . . . . 0.0 108.825 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.533 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 14.0 tp -46.89 -28.24 1.52 Allowed 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 177.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -65.89 -55.31 17.64 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 177.64 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.628 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 5.8 ptp180 -61.28 -14.0 23.14 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.585 -0.846 . . . . 0.0 108.875 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.569 ' NH2' ' CB ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -73.37 -31.01 63.67 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 104.967 -2.234 . . . . 0.0 104.967 176.134 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.533 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 20.4 m-85 -94.28 -22.97 18.04 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.628 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -22.35 -78.21 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.323 0 CA-C-O 121.678 0.751 . . . . 0.0 110.393 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.524 ' O ' ' CG2' ' A' ' 28' ' ' ILE . 0.3 OUTLIER -66.47 -41.99 88.21 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.715 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -50.54 -35.86 31.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.218 -0.927 . . . . 0.0 109.419 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.5 t60 -88.65 -69.41 0.71 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.187 -0.946 . . . . 0.0 110.281 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.0 mt -46.3 -34.94 4.87 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.606 -0.684 . . . . 0.0 110.414 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.524 ' CG2' ' O ' ' A' ' 24' ' ' LEU . 5.0 tt -67.2 -15.14 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.034 -1.041 . . . . 0.0 109.734 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 28' ' ' ILE . . . 49.71 95.71 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.194 -0.941 . . . . 0.0 109.137 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.79 102.13 9.44 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.299 -0.875 . . . . 0.0 110.188 -179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.511 ' CD1' ' N ' ' A' ' 31' ' ' ILE . 0.1 OUTLIER -104.35 109.03 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.238 -0.913 . . . . 0.0 108.709 179.5 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -132.61 58.23 1.77 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.148 -0.97 . . . . 0.0 109.782 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.7 m -138.64 51.06 1.84 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.315 -0.865 . . . . 0.0 109.243 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.387 -179.94 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' ALA . 2.0 p -42.18 142.71 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.388 -0.82 . . . . 0.0 109.595 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.446 ' OG ' ' HG3' ' A' ' 6' ' ' GLN . 38.4 p -54.52 117.52 3.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.366 -0.834 . . . . 0.0 109.575 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.468 ' O ' ' O ' ' A' ' 5' ' ' HIS . 13.3 tt0 -57.61 -71.47 0.1 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.403 -0.81 . . . . 0.0 109.711 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.517 ' O ' ' O ' ' A' ' 6' ' ' GLN . 2.6 m-70 -42.24 -95.61 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.46 -0.775 . . . . 0.0 110.767 -179.481 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.793 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER 42.22 -160.08 0.01 OUTLIER 'General case' 0 C--O 1.205 -1.265 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -177.813 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 6' ' ' GLN . 1.8 mt 39.49 -79.5 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.068 0 CA-C-N 119.342 0.974 . . . . 0.0 109.647 178.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.793 ' N ' ' O ' ' A' ' 6' ' ' GLN . 2.3 tp -64.6 -42.33 95.64 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.757 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.588 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 8.2 t-80 -79.25 4.62 14.5 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.013 179.545 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.542 ' C ' ' O ' ' A' ' 9' ' ' HIS . 5.3 t0 20.48 55.14 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.811 0.815 . . . . 0.0 111.419 178.88 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 9' ' ' HIS . 1.4 tttt -62.02 -34.19 75.75 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.8 -1.187 . . . . 0.0 109.141 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 13' ' ' LYS . . . -169.42 37.41 0.2 Allowed Glycine 0 N--CA 1.48 1.568 0 N-CA-C 106.902 -2.479 . . . . 0.0 106.902 179.75 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.619 ' O ' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER 37.18 69.72 0.21 Allowed 'General case' 0 CA--C 1.479 -1.761 0 O-C-N 122.147 -0.619 . . . . 0.0 110.328 179.456 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.63 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER 57.36 97.89 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 103.957 -2.609 . . . . 0.0 103.957 -177.231 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.551 ' C ' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -37.37 -28.82 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 107.362 -1.348 . . . . 0.0 107.362 -178.296 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.63 ' N ' ' O ' ' A' ' 14' ' ' SER . 42.3 mm-40 -32.55 -39.24 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 172.15 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' ILE . 1.1 m-20 -88.76 -45.42 9.8 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 119.866 -0.734 . . . . 0.0 109.628 179.57 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.518 ' HB2' ' HA ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -48.2 -27.18 2.28 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 177.355 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -70.12 -48.26 58.28 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 177.55 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.623 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -62.21 -16.72 55.08 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.554 -0.858 . . . . 0.0 109.157 -179.8 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.514 ' NH2' HD23 ' A' ' 18' ' ' LEU . 2.7 mpp_? -72.4 -29.93 64.19 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 176.732 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.533 ' O ' ' C ' ' A' ' 23' ' ' PHE . 33.7 m-85 -96.02 -21.59 17.9 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.453 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.623 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -22.65 -75.74 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.377 0 CA-C-O 121.621 0.724 . . . . 0.0 109.939 179.727 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.529 ' O ' ' CG2' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -66.13 -42.65 88.85 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.862 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.523 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 1.7 t60 -45.28 -38.93 6.04 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.243 -0.91 . . . . 0.0 108.709 179.283 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.572 ' CE1' ' OE1' ' A' ' 30' ' ' GLU . 4.4 t60 -77.1 -42.47 37.97 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.478 -0.764 . . . . 0.0 110.544 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 mt -83.69 4.68 27.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.276 -0.89 . . . . 0.0 110.624 -178.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.557 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 28.7 pt -108.99 -41.48 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.926 -1.109 . . . . 0.0 109.68 179.834 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 28' ' ' ILE . . . 159.69 84.55 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.541 -0.724 . . . . 0.0 109.319 179.814 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.572 ' OE1' ' CE1' ' A' ' 26' ' ' HIS . 5.2 pt-20 -53.35 140.44 27.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.15 -0.969 . . . . 0.0 109.434 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.527 ' CD1' ' O ' ' A' ' 31' ' ' ILE . 1.0 OUTLIER -149.95 93.67 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.321 -0.862 . . . . 0.0 109.405 -179.808 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 55.96 56.68 5.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.191 -0.943 . . . . 0.0 109.508 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.9 m -102.18 128.24 48.77 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.271 -0.893 . . . . 0.0 109.358 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.382 -179.966 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 121.309 0.576 . . . . 0.0 109.46 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' ALA . 7.1 p -43.19 -29.07 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.295 -0.878 . . . . 0.0 109.674 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 6.5 t -141.36 147.87 38.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.633 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -74.77 -60.68 2.17 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.258 -0.901 . . . . 0.0 109.455 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.501 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -51.15 -19.33 1.12 Allowed 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.388 -0.82 . . . . 0.0 110.12 -179.895 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER -49.56 175.21 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.785 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 6' ' ' GLN . 2.6 mt 68.48 -68.71 0.17 Allowed 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -178.427 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' A' ' 6' ' ' GLN . 7.2 tp -66.99 -30.15 70.19 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 176.603 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.626 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 10.1 t-160 -97.13 39.3 1.19 Allowed 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.633 179.473 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' A' ' 12' ' ' GLY . 2.9 t70 -28.69 93.06 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.714 -0.616 . . . . 0.0 110.552 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' HIS . 1.9 tmtp? -50.07 88.86 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.449 -0.782 . . . . 0.0 109.599 -179.732 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.56 ' O ' ' C ' ' A' ' 13' ' ' LYS . . . 147.24 -93.11 0.15 Allowed Glycine 0 N--CA 1.48 1.609 0 N-CA-C 107.308 -2.317 . . . . 0.0 107.308 -179.478 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.564 ' O ' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER 32.37 38.67 0.01 OUTLIER 'General case' 0 CA--C 1.478 -1.813 0 CA-C-N 118.002 0.901 . . . . 0.0 109.095 178.333 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.706 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 49.57 90.89 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 -177.816 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.591 ' N ' ' CD1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -34.47 -27.92 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.529 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 179.23 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.674 ' N ' ' O ' ' A' ' 14' ' ' SER . 7.3 mm-40 -37.79 -31.58 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 172.06 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.706 ' N ' ' O ' ' A' ' 14' ' ' SER . 1.7 m-20 -88.71 -44.99 10.17 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.631 -1.168 . . . . 0.0 108.587 179.643 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.583 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 1.0 OUTLIER -43.82 -31.64 0.89 Allowed 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 105.976 -1.861 . . . . 0.0 105.976 177.438 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -65.94 -63.25 1.13 Allowed 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 176.481 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.691 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 3.3 tmm_? -55.21 -37.45 67.14 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.892 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.524 ' NE ' HD23 ' A' ' 18' ' ' LEU . 2.9 mtm-85 -51.19 -32.84 25.02 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 105.507 -2.034 . . . . 0.0 105.507 176.801 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 22.1 m-85 -89.95 -29.67 18.34 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 176.509 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.691 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -11.19 -74.85 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.474 0 CA-C-O 121.569 0.7 . . . . 0.0 110.957 -179.254 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.74 -41.04 54.43 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.415 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.572 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -56.56 -27.61 58.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.168 -0.958 . . . . 0.0 109.115 179.31 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.8 t60 -77.95 -43.47 29.73 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.261 -0.899 . . . . 0.0 110.373 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.1 mt -91.33 5.38 49.48 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.294 -0.879 . . . . 0.0 110.31 -178.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.431 HG23 ' HA ' ' A' ' 25' ' ' HIS . 1.3 tp -98.72 15.58 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.006 -1.059 . . . . 0.0 109.145 179.511 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.498 ' C ' ' CG ' ' A' ' 30' ' ' GLU . . . 175.37 159.54 0.23 Allowed 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.498 ' CG ' ' C ' ' A' ' 29' ' ' ALA . 0.1 OUTLIER 54.89 101.34 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.0 -1.063 . . . . 0.0 108.518 -179.249 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.576 HG23 ' CD2' ' A' ' 32' ' ' HIS . 0.7 OUTLIER -125.72 107.97 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.139 -0.976 . . . . 0.0 109.244 -179.512 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.576 ' CD2' HG23 ' A' ' 31' ' ' ILE . 12.2 p80 38.6 50.99 1.66 Allowed 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 121.327 0.584 . . . . 0.0 109.956 179.766 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.99 58.55 1.77 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.234 -0.916 . . . . 0.0 109.662 -179.836 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.423 179.981 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 1' ' ' ALA . 2.9 p -43.64 -36.27 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.289 -0.882 . . . . 0.0 109.502 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -144.73 163.99 32.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.271 -0.893 . . . . 0.0 109.595 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.7 tp10 -88.71 -69.94 0.68 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.267 -0.896 . . . . 0.0 109.256 179.86 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.484 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 5.3 m-70 -42.97 -46.69 5.53 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.339 -0.851 . . . . 0.0 109.763 -179.878 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.525 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -45.72 161.09 0.05 OUTLIER 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.101 -0.999 . . . . 0.0 108.527 179.443 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.525 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.4 OUTLIER 75.88 -50.8 0.62 Allowed 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.226 -0.921 . . . . 0.0 109.667 -179.663 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.484 ' HB3' ' O ' ' A' ' 5' ' ' HIS . 4.1 tp -59.05 -38.41 79.29 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 120.783 -1.198 . . . . 0.0 109.123 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.515 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 11.8 m170 -72.24 -69.44 0.4 Allowed 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.778 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 9' ' ' HIS . 2.7 t0 29.18 87.33 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.539 176.245 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -43.53 102.7 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.234 -0.916 . . . . 0.0 109.716 -179.689 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.406 ' H ' ' CD1' ' A' ' 15' ' ' ILE . . . 152.23 -36.93 0.81 Allowed Glycine 0 N--CA 1.488 2.161 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.486 ' O ' HD13 ' A' ' 15' ' ' ILE . 8.9 mmtt -67.99 -159.77 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.529 -0.983 . . . . 0.0 110.087 179.67 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.487 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -84.3 54.87 3.12 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 122.712 1.244 . . . . 0.0 110.774 -178.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.486 HD13 ' O ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -119.66 -50.56 3.65 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.429 0 N-CA-C 102.48 -3.155 . . . . 0.0 102.48 176.922 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.455 ' O ' ' HB3' ' A' ' 19' ' ' ARG . 2.9 mm-40 -61.52 -29.7 70.16 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 104.555 -2.387 . . . . 0.0 104.555 173.763 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.527 ' OD1' ' CD ' ' A' ' 20' ' ' ARG . 0.9 OUTLIER -89.95 -39.94 12.68 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.092 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.608 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 2.1 tp -47.82 -28.89 2.8 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 176.791 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.53 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -70.5 -52.01 24.94 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 177.595 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.64 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 8.3 ptm180 -66.82 -27.25 67.41 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.295 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -57.84 -31.55 66.76 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 104.981 -2.229 . . . . 0.0 104.981 176.358 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.608 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 20.5 m-85 -95.41 -25.33 16.31 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.801 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.64 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -21.55 -70.56 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.653 0 CA-C-O 121.518 0.675 . . . . 0.0 110.331 -179.534 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.478 ' O ' HG13 ' A' ' 28' ' ' ILE . 14.0 mt -72.6 -40.49 66.51 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.151 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.8 t60 -49.92 -43.43 49.75 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.287 -0.883 . . . . 0.0 108.83 179.248 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -59.73 -50.92 71.97 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.347 -0.846 . . . . 0.0 109.875 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.8 mt -83.84 14.69 3.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.524 -0.735 . . . . 0.0 110.095 -179.313 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 24' ' ' LEU . 33.3 mt -111.06 -12.54 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.048 -1.032 . . . . 0.0 109.408 179.752 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 172.41 116.68 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.148 -0.97 . . . . 0.0 109.845 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 4.0 pt-20 -167.95 78.05 0.15 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -0.84 . . . . 0.0 109.185 179.807 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' HIS . 8.8 mm -116.67 39.95 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.236 -0.915 . . . . 0.0 109.631 -179.698 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' ILE . 2.7 t60 44.61 60.05 3.06 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.617 -0.677 . . . . 0.0 109.519 179.882 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 m -114.85 103.64 11.15 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.214 -0.929 . . . . 0.0 109.556 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.53 -179.97 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 3' ' ' SER . 7.3 p -42.74 -38.89 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.289 -0.882 . . . . 0.0 109.827 -179.8 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.452 ' N ' HG12 ' A' ' 2' ' ' VAL . 15.2 t -119.28 162.81 18.1 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.147 -0.971 . . . . 0.0 109.699 -179.755 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 5' ' ' HIS . 18.0 tp10 -83.98 -71.01 0.53 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.291 -0.881 . . . . 0.0 109.373 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.466 ' O ' ' O ' ' A' ' 6' ' ' GLN . 1.5 m-70 -42.01 -28.39 0.17 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.379 -0.825 . . . . 0.0 109.539 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -46.82 167.35 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.917 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 0.2 OUTLIER 67.87 -69.52 0.14 Allowed 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 -178.388 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 6' ' ' GLN . 10.8 tp -56.1 -45.29 79.47 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 176.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.568 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 1.9 t-80 -45.11 -78.59 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.969 178.373 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 12' ' ' GLY . 8.4 t0 -82.87 -68.36 0.71 Allowed 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.642 -0.662 . . . . 0.0 110.38 -179.243 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.483 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . 2.9 tmtp? -47.63 88.42 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.593 -0.692 . . . . 0.0 109.25 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . 144.46 -32.9 1.71 Allowed Glycine 0 N--CA 1.484 1.885 0 N-CA-C 108.615 -1.794 . . . . 0.0 108.615 -179.475 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.605 ' O ' ' O ' ' A' ' 14' ' ' SER . 47.1 mmtt -69.16 64.46 0.14 Allowed 'General case' 0 CA--C 1.487 -1.474 0 O-C-N 121.312 -1.111 . . . . 0.0 108.648 178.699 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.609 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.3 OUTLIER 41.16 100.26 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.63 -179.836 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.547 ' C ' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -33.95 -34.88 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 177.743 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.609 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -32.64 -41.53 0.06 Allowed 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.86 173.878 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.601 ' N ' ' O ' ' A' ' 14' ' ' SER . 7.4 t70 -86.37 -47.88 8.95 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.613 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.536 HD13 ' CZ ' ' A' ' 22' ' ' PHE . 15.9 tp -49.06 -26.72 2.81 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 177.373 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -70.76 -49.06 50.77 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.645 177.892 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.64 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 1.0 OUTLIER -58.68 -34.72 71.58 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 119.107 -1.037 . . . . 0.0 109.194 -179.36 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.529 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 1.6 mpp_? -56.54 -27.44 57.64 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 176.658 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.579 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 20.2 m-85 -96.12 -24.87 16.1 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.063 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.64 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -24.9 -82.62 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.465 0 CA-C-O 121.917 0.865 . . . . 0.0 110.071 -179.375 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.528 ' HA ' ' CD1' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -52.68 -38.69 60.95 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.702 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.512 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -43.03 -43.62 4.36 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.376 -0.93 . . . . 0.0 109.24 179.816 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' ' 22' ' ' PHE . 11.8 m-70 -78.39 -54.7 5.9 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 122.197 0.999 . . . . 0.0 109.419 179.771 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.528 ' CD1' ' HA ' ' A' ' 24' ' ' LEU . 50.1 mt -24.53 -88.57 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.903 -177.827 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.2 mm -53.9 -84.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.116 -0.99 . . . . 0.0 108.722 179.47 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.82 91.14 0.06 Allowed 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.238 -0.914 . . . . 0.0 109.23 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.492 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 8.6 pt-20 -92.74 150.53 20.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.141 -0.975 . . . . 0.0 109.808 -179.657 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.532 ' CD1' ' O ' ' A' ' 31' ' ' ILE . 1.8 pp -142.68 95.57 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 CA-C-O 121.494 0.664 . . . . 0.0 109.328 -179.61 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.524 ' CG ' ' C ' ' A' ' 31' ' ' ILE . 2.2 p80 168.34 57.02 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.255 -0.903 . . . . 0.0 109.275 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.2 m -151.32 146.56 26.1 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.24 -0.912 . . . . 0.0 109.504 -179.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.416 179.892 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 1' ' ' ALA . 12.5 p -42.88 156.42 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.367 -0.833 . . . . 0.0 109.711 -179.778 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t -50.87 153.52 1.75 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.309 -0.869 . . . . 0.0 109.556 -179.875 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -85.23 -30.91 23.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.363 -0.836 . . . . 0.0 109.719 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.464 ' O ' ' O ' ' A' ' 6' ' ' GLN . 3.4 t-80 -43.88 -35.28 1.9 Allowed 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.181 -0.95 . . . . 0.0 109.985 -179.575 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -45.65 164.79 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.443 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 0.3 OUTLIER 67.71 -68.18 0.17 Allowed 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 -177.936 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.518 ' N ' ' O ' ' A' ' 6' ' ' GLN . 6.1 tp -54.92 -45.7 74.8 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 105.466 -2.05 . . . . 0.0 105.466 176.529 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.634 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 1.7 t-80 -41.45 -82.64 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.006 178.386 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.634 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 24.9 t70 -81.09 -110.98 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.535 -0.728 . . . . 0.0 109.642 -179.409 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER 35.52 31.28 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.395 -0.816 . . . . 0.0 110.503 179.751 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.523 ' N ' HD12 ' A' ' 15' ' ' ILE . . . -148.65 -36.57 0.04 OUTLIER Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 15' ' ' ILE . 4.7 mmtm -57.48 -157.19 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.313 -1.11 . . . . 0.0 110.399 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.507 ' O ' ' HB3' ' A' ' 18' ' ' LEU . 2.0 m -67.87 62.68 0.08 Allowed 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 122.325 1.059 . . . . 0.0 111.023 -177.866 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.55 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -111.55 -43.8 5.09 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.181 0 N-CA-C 103.398 -2.816 . . . . 0.0 103.398 176.261 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.51 ' O ' ' HB3' ' A' ' 19' ' ' ARG . 3.6 mt-30 -75.01 -23.94 58.3 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 103.978 -2.601 . . . . 0.0 103.978 173.908 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.475 ' HB3' ' HB3' ' A' ' 14' ' ' SER . 0.5 OUTLIER -87.57 -37.83 16.51 Favored 'General case' 0 C--O 1.21 -0.982 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.12 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.58 HD11 ' CE2' ' A' ' 22' ' ' PHE . 1.1 pp -50.76 -26.69 5.94 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 105.712 -1.958 . . . . 0.0 105.712 177.704 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -72.47 -50.59 25.01 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.633 -1.167 . . . . 0.0 108.329 178.17 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.676 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 7.9 ptm180 -71.71 -33.12 68.49 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.239 -0.984 . . . . 0.0 108.452 179.765 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.405 ' NH1' ' HG2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -53.52 -28.66 32.46 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 104.951 -2.24 . . . . 0.0 104.951 175.857 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CE2' HD11 ' A' ' 18' ' ' LEU . 10.1 m-30 -95.51 -29.56 14.31 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.991 177.759 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.676 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -23.54 -83.55 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.419 0 CA-C-O 121.509 0.671 . . . . 0.0 110.538 -179.34 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -55.66 -45.61 77.67 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.494 -0.754 . . . . 0.0 109.192 179.841 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.529 ' CA ' ' HB3' ' A' ' 30' ' ' GLU . 1.2 m170 -50.35 -54.68 19.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.976 -1.077 . . . . 0.0 109.045 179.78 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -53.36 -51.56 62.07 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.178 -0.951 . . . . 0.0 108.768 179.217 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.532 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 8.9 mt -77.65 173.65 11.81 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.722 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.532 ' CG1' ' O ' ' A' ' 27' ' ' LEU . 33.2 pt 40.55 23.36 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.306 -0.871 . . . . 0.0 110.497 -179.747 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . 62.8 160.23 0.08 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.953 -1.092 . . . . 0.0 109.894 179.543 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.529 ' HB3' ' CA ' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -134.99 63.92 1.6 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.485 -0.759 . . . . 0.0 109.174 179.849 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.1 mm -110.0 38.26 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.322 -0.861 . . . . 0.0 109.67 -179.57 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.521 ' O ' ' CB ' ' A' ' 33' ' ' THR . 6.9 m-70 -46.18 109.63 0.2 Allowed 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.659 -0.651 . . . . 0.0 109.435 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.521 ' CB ' ' O ' ' A' ' 32' ' ' HIS . 0.4 OUTLIER 76.16 124.74 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.183 -0.948 . . . . 0.0 109.48 -179.937 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.489 179.946 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.446 HG21 ' N ' ' A' ' 3' ' ' SER . 10.5 p -43.77 157.88 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.189 -0.944 . . . . 0.0 109.674 -179.681 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.446 ' N ' HG21 ' A' ' 2' ' ' VAL . 35.5 t -67.15 148.87 51.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.346 -0.846 . . . . 0.0 109.363 179.86 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' HIS . 5.5 tt0 -86.44 -74.0 0.44 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.215 -0.928 . . . . 0.0 109.668 -179.873 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.489 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -43.5 -31.54 0.73 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.398 -0.814 . . . . 0.0 109.858 -179.575 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -47.23 169.78 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.206 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.509 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER 72.95 -63.84 0.42 Allowed 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -178.269 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.441 ' HA ' HD11 ' A' ' 8' ' ' LEU . 13.3 tp -76.26 -38.26 56.5 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 177.667 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' A' ' 9' ' ' HIS . 4.7 t-80 -55.5 -18.98 8.3 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.02 -179.827 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.542 ' C ' ' O ' ' A' ' 9' ' ' HIS . 6.2 t0 15.81 108.28 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.407 0.622 . . . . 0.0 112.339 178.789 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' C ' HD12 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -72.38 10.66 0.74 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.1 -1.0 . . . . 0.0 111.274 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . -107.06 -9.8 29.22 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 179.369 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.527 ' O ' HD13 ' A' ' 15' ' ' ILE . 57.6 mmtt -55.21 -164.38 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.496 -1.002 . . . . 0.0 110.46 -179.854 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.525 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -82.81 53.46 2.4 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 122.647 1.213 . . . . 0.0 110.468 -178.885 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.527 HD13 ' O ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -111.41 -46.85 6.08 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.309 0 N-CA-C 102.857 -3.016 . . . . 0.0 102.857 176.713 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.491 ' O ' ' HB3' ' A' ' 19' ' ' ARG . 9.5 mm-40 -66.06 -27.9 68.44 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 104.318 -2.475 . . . . 0.0 104.318 173.868 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.509 ' HB3' ' NH2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -89.39 -40.55 12.66 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.054 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.594 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -48.4 -29.31 3.9 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 177.547 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.5 ttm-85 -64.29 -52.04 60.53 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.82 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.655 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -68.49 -31.82 71.36 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.886 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.53 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.0 mtm-85 -53.95 -30.55 47.21 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.094 -2.187 . . . . 0.0 105.094 176.184 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 21.4 m-85 -92.85 -30.18 15.57 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.212 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.655 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -15.09 -74.14 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.534 0 CA-C-O 121.641 0.734 . . . . 0.0 111.052 -179.62 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.474 HD21 ' N ' ' A' ' 24' ' ' LEU . 4.1 mm? -72.68 -40.13 66.52 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.537 -0.727 . . . . 0.0 109.166 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.547 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -57.68 -36.42 71.91 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.14 -0.975 . . . . 0.0 109.108 179.537 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 22' ' ' PHE . 4.0 t60 -62.54 -63.49 1.21 Allowed 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.366 -0.834 . . . . 0.0 109.793 179.492 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 70.3 mt -49.28 -58.83 4.37 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.508 -0.745 . . . . 0.0 109.218 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.7 mm -72.34 -87.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.25 -0.906 . . . . 0.0 109.05 179.614 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.497 ' C ' ' CG ' ' A' ' 30' ' ' GLU . . . -53.27 166.91 0.22 Allowed 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.074 -1.016 . . . . 0.0 109.174 179.591 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.497 ' CG ' ' C ' ' A' ' 29' ' ' ALA . 1.6 pt-20 40.16 75.27 0.08 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.334 -0.853 . . . . 0.0 109.741 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -108.18 121.25 60.9 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 O-C-N 121.341 -0.849 . . . . 0.0 109.28 179.805 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 174.87 144.05 0.06 Allowed 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.809 -0.557 . . . . 0.0 109.649 179.835 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.65 118.19 23.69 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.255 -0.903 . . . . 0.0 109.497 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.47 179.862 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.274 0.559 . . . . 0.0 109.565 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.472 ' O ' ' O ' ' A' ' 3' ' ' SER . 9.3 p -43.17 159.76 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.265 -0.897 . . . . 0.0 109.519 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.472 ' O ' ' O ' ' A' ' 2' ' ' VAL . 10.6 p 37.88 93.88 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.63 -0.668 . . . . 0.0 110.311 179.643 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' SER . 30.8 tt0 -42.55 -41.79 3.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.216 -0.928 . . . . 0.0 109.686 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.504 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -45.45 -23.51 0.22 Allowed 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.274 -0.891 . . . . 0.0 110.11 -179.42 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 8' ' ' LEU . 2.1 mm-40 -49.77 175.38 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 178.808 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.508 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 70.19 -70.05 0.16 Allowed 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 -178.069 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 6' ' ' GLN . 1.2 tp -66.77 -40.04 88.08 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 105.699 -1.963 . . . . 0.0 105.699 176.508 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.616 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 10.0 t-160 -91.03 37.37 0.93 Allowed 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.413 178.802 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.517 ' OD2' ' NZ ' ' A' ' 13' ' ' LYS . 6.3 t70 -34.43 94.05 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.57 -0.706 . . . . 0.0 110.626 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 9' ' ' HIS . 12.5 tptp -66.7 99.97 0.65 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.171 -0.956 . . . . 0.0 109.415 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.523 ' N ' HD12 ' A' ' 15' ' ' ILE . . . 152.12 -30.74 0.89 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.898 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.517 ' NZ ' ' OD2' ' A' ' 10' ' ' ASP . 8.5 mmtt -58.23 -155.41 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.375 -1.073 . . . . 0.0 110.373 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.596 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 1.5 m -68.93 61.87 0.11 Allowed 'General case' 0 C--N 1.29 -1.985 0 CA-C-O 122.665 1.221 . . . . 0.0 110.777 -178.147 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.523 HD12 ' N ' ' A' ' 12' ' ' GLY . 0.6 OUTLIER -114.67 -41.24 3.32 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.383 0 N-CA-C 103.689 -2.708 . . . . 0.0 103.689 176.634 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.51 ' O ' ' HB3' ' A' ' 19' ' ' ARG . 2.0 mm-40 -74.87 -25.73 59.17 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 174.265 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -89.89 -38.38 13.75 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.416 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.594 HD11 ' CZ ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -49.68 -27.84 5.22 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 177.702 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.6 ttm-85 -63.77 -62.27 1.76 Allowed 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 177.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.653 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -59.89 -28.62 67.71 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 178.772 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.596 ' CZ ' ' HB3' ' A' ' 14' ' ' SER . 0.0 OUTLIER -56.3 -31.75 63.95 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 104.86 -2.274 . . . . 0.0 104.86 176.08 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 22.7 m-85 -91.82 -26.04 18.71 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 176.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.653 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -20.1 -71.13 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.428 0 CA-C-O 121.752 0.787 . . . . 0.0 110.057 -179.44 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.451 ' O ' HG12 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -68.2 -44.97 74.65 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.088 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 22' ' ' PHE . 3.3 t-160 -47.74 -45.83 29.37 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.096 -1.003 . . . . 0.0 108.356 179.125 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 27' ' ' LEU . 6.6 t60 -63.26 -62.51 1.64 Allowed 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.463 -0.773 . . . . 0.0 109.608 179.359 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 26' ' ' HIS . 70.7 mt -42.57 -39.2 2.23 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.514 -0.741 . . . . 0.0 109.307 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 24' ' ' LEU . 31.2 mm -85.41 -74.58 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.256 -0.903 . . . . 0.0 108.99 179.553 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 25' ' ' HIS . . . -73.67 119.58 18.08 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.226 -0.921 . . . . 0.0 109.259 179.724 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -177.99 70.59 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.117 -0.989 . . . . 0.0 109.588 -179.879 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 33' ' ' THR . 0.8 OUTLIER -115.72 118.08 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.383 -0.823 . . . . 0.0 109.23 179.798 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.22 87.05 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.467 -0.771 . . . . 0.0 109.756 -179.762 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 31' ' ' ILE . 97.6 m -101.62 51.43 0.84 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.205 -0.934 . . . . 0.0 109.2 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 118.02 -0.991 . . . . 0.0 109.46 -179.983 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 1' ' ' ALA . 2.4 p -42.71 141.55 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.365 -0.834 . . . . 0.0 109.529 -179.919 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.444 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -142.77 171.62 13.81 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.337 -0.852 . . . . 0.0 109.164 179.937 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.09 -42.12 63.35 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.112 -0.993 . . . . 0.0 109.201 179.877 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 9' ' ' HIS . 1.6 m-70 -52.48 -19.03 1.95 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.321 -0.862 . . . . 0.0 109.939 -179.909 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -47.32 170.4 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 179.016 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.467 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER 69.32 -68.62 0.18 Allowed 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 -177.982 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 6' ' ' GLN . 1.4 tp -64.73 -32.81 74.65 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 105.488 -2.041 . . . . 0.0 105.488 176.321 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.636 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 9.9 t-160 -90.61 35.49 0.88 Allowed 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.5 179.249 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.541 ' C ' ' O ' ' A' ' 9' ' ' HIS . 21.6 t0 -25.81 124.46 0.06 Allowed 'General case' 0 N--CA 1.499 2.017 0 CA-C-O 121.231 0.538 . . . . 0.0 110.728 179.714 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.84 13.78 2.49 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.212 -0.93 . . . . 0.0 110.538 -179.332 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . -108.47 -15.97 12.85 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 179.761 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' ILE . 15.3 mmtp -55.4 -164.09 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.462 -1.022 . . . . 0.0 110.26 -179.876 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.499 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -69.34 60.95 0.13 Allowed 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 122.448 1.118 . . . . 0.0 111.076 -178.129 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.613 ' N ' ' CD1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -118.31 -48.7 3.84 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.138 0 N-CA-C 102.539 -3.134 . . . . 0.0 102.539 176.733 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' ' 19' ' ' ARG . 73.8 mm-40 -63.17 -31.86 73.11 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 173.839 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.511 ' HA ' ' HB2' ' A' ' 20' ' ' ARG . 19.9 t0 -85.94 -39.26 17.11 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.447 179.692 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -52.57 -23.33 6.19 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 104.964 -2.235 . . . . 0.0 104.964 175.712 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -90.94 -63.01 1.33 Allowed 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.398 -1.274 . . . . 0.0 108.191 178.212 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.658 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -50.39 -23.12 2.18 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -179.864 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 17' ' ' ASP . 6.7 mtm-85 -61.61 -44.06 97.7 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 105.18 -2.155 . . . . 0.0 105.18 177.185 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.538 ' O ' ' C ' ' A' ' 23' ' ' PHE . 46.8 m-85 -82.92 -19.58 37.02 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 177.495 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.658 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -27.07 -70.53 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.293 0 CA-C-O 121.504 0.669 . . . . 0.0 110.679 -179.193 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.508 HD21 ' N ' ' A' ' 24' ' ' LEU . 3.1 mm? -69.77 -40.69 75.91 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.556 -0.715 . . . . 0.0 109.599 -179.773 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.526 ' HB2' ' HA ' ' A' ' 22' ' ' PHE . 7.8 m-70 -56.39 -42.78 78.48 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.116 -0.99 . . . . 0.0 109.31 -179.906 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.41 ' HA ' ' HB3' ' A' ' 30' ' ' GLU . 1.1 t60 -54.47 -72.78 0.06 Allowed 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.111 -0.993 . . . . 0.0 109.657 179.898 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.461 HD21 ' N ' ' A' ' 27' ' ' LEU . 7.8 mt -55.07 -26.95 41.18 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.495 -0.753 . . . . 0.0 109.5 -179.902 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.5 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 73.1 mt -113.1 85.12 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.201 179.736 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 28' ' ' ILE . . . 77.91 71.22 0.05 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.379 -0.826 . . . . 0.0 109.3 -179.776 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HB3' ' HA ' ' A' ' 26' ' ' HIS . 2.9 pt-20 -85.48 107.98 17.69 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.36 -0.837 . . . . 0.0 109.607 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.429 ' N ' HD11 ' A' ' 31' ' ' ILE . 2.0 mm -95.11 110.12 23.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.311 -0.868 . . . . 0.0 109.365 179.895 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.58 ' CG ' ' O ' ' A' ' 32' ' ' HIS . 4.6 p80 -56.1 105.66 0.21 Allowed 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.468 -0.77 . . . . 0.0 109.602 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.446 ' O ' ' O ' ' A' ' 32' ' ' HIS . 0.2 OUTLIER 46.75 -171.66 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.132 -0.98 . . . . 0.0 109.456 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.352 -179.89 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.455 ' O ' HG11 ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 2' ' ' VAL . 0.4 OUTLIER 52.03 18.7 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 O-C-N 121.159 -0.963 . . . . 0.0 109.667 179.503 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 3.3 t -51.81 161.51 0.54 Allowed 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.425 -0.797 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -51.04 -37.65 46.68 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.16 -0.963 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -49.51 -26.42 3.42 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.418 -0.801 . . . . 0.0 110.207 -179.568 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.511 ' O ' ' O ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -47.56 172.65 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.377 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 69.33 -62.84 0.4 Allowed 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 -178.464 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 6' ' ' GLN . 19.1 tp -77.61 -33.18 53.8 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 177.533 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.553 ' N ' ' O ' ' A' ' 5' ' ' HIS . 8.6 t-80 -75.62 -4.81 42.18 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.517 ' C ' ' O ' ' A' ' 9' ' ' HIS . 5.9 t0 24.12 -88.77 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.146 0.498 . . . . 0.0 111.77 178.77 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 9' ' ' HIS . 1.1 tptm 36.22 30.35 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.589 -0.694 . . . . 0.0 110.697 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.56 ' N ' HD12 ' A' ' 15' ' ' ILE . . . -143.04 -37.32 0.08 OUTLIER Glycine 0 N--CA 1.489 2.17 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 179.244 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.481 ' O ' HD13 ' A' ' 15' ' ' ILE . 29.6 mmtt -59.52 -165.45 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.397 -1.061 . . . . 0.0 110.797 -179.704 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -72.69 58.95 0.45 Allowed 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 122.51 1.148 . . . . 0.0 111.061 -177.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.56 HD12 ' N ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -114.64 -46.91 4.77 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.278 0 N-CA-C 102.183 -3.266 . . . . 0.0 102.183 176.135 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.49 ' HG3' HD11 ' A' ' 15' ' ' ILE . 26.3 mt-30 -64.81 -28.73 69.77 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 104.253 -2.499 . . . . 0.0 104.253 173.672 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.551 ' O ' ' N ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -89.68 -38.0 14.19 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.625 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.59 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 12.8 tp -48.3 -28.71 3.28 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 177.11 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.475 ' HB3' ' O ' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -70.19 -50.93 35.15 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 177.623 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.577 ' HA ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -73.46 -4.83 36.16 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 178.171 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.583 ' CZ ' ' HB3' ' A' ' 14' ' ' SER . 2.5 mtt-85 -82.48 -36.36 26.55 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 104.255 -2.498 . . . . 0.0 104.255 176.468 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.59 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 20.2 m-85 -86.42 -22.69 26.4 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 176.299 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.577 ' CD1' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -19.43 -75.72 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 CA-C-O 121.512 0.672 . . . . 0.0 110.682 179.88 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.473 ' O ' ' HB ' ' A' ' 28' ' ' ILE . 1.3 mt -72.72 -35.14 67.51 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.21 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 22' ' ' PHE . 4.4 t60 -55.59 -37.26 67.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.326 -0.859 . . . . 0.0 109.255 179.657 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.1 t60 -67.08 -61.37 1.96 Allowed 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.334 -0.854 . . . . 0.0 110.187 -179.856 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mt -71.29 -14.17 62.13 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.425 -0.797 . . . . 0.0 110.291 -179.131 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.539 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 47.7 mm -116.92 49.38 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.887 -1.133 . . . . 0.0 109.866 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 28' ' ' ILE . . . 162.08 -179.1 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.34 -0.85 . . . . 0.0 109.545 179.725 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.462 ' CG ' ' C ' ' A' ' 29' ' ' ALA . 0.3 OUTLIER 50.11 73.0 0.29 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.273 -0.892 . . . . 0.0 109.196 -179.918 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.454 HD12 ' O ' ' A' ' 30' ' ' GLU . 17.6 mm -144.57 44.19 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.436 -0.79 . . . . 0.0 108.913 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' ILE . 3.2 m-70 -38.17 105.37 0.04 OUTLIER 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.329 0.585 . . . . 0.0 110.161 -179.577 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.01 67.23 0.67 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.364 -0.835 . . . . 0.0 109.266 179.884 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.435 179.886 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.418 ' CG2' ' N ' ' A' ' 3' ' ' SER . 2.9 p -43.26 158.51 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.228 -0.92 . . . . 0.0 109.663 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.487 ' OG ' ' N ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -87.2 -172.33 3.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.218 -0.926 . . . . 0.0 109.407 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.487 ' N ' ' OG ' ' A' ' 3' ' ' SER . 1.4 tt0 -100.15 -62.5 1.23 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.3 -0.875 . . . . 0.0 109.839 -179.758 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.46 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -61.73 -9.87 7.42 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.369 -0.832 . . . . 0.0 110.633 -179.229 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.04 20.14 1.96 Allowed 'General case' 0 C--N 1.306 -1.289 0 O-C-N 120.946 -1.096 . . . . 0.0 110.446 -179.847 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.5 -68.46 0.8 Allowed 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 178.625 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.451 ' HA ' HD11 ' A' ' 8' ' ' LEU . 2.0 tp -62.68 -44.11 97.09 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 178.05 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.52 ' O ' ' C ' ' A' ' 10' ' ' ASP . 3.7 t-80 -52.71 -52.62 55.41 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.823 -0.548 . . . . 0.0 110.131 -179.785 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.549 ' O ' ' N ' ' A' ' 12' ' ' GLY . 19.2 t0 28.79 -99.94 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.147 0 O-C-N 121.943 -0.473 . . . . 0.0 111.013 179.251 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER 33.54 32.26 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.621 -0.675 . . . . 0.0 110.473 179.574 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . -142.16 -33.89 0.11 Allowed Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.763 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.519 ' O ' HD13 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -55.11 -163.42 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.365 -1.079 . . . . 0.0 109.956 179.881 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.47 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -77.56 59.8 2.01 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 118.157 -1.417 . . . . 0.0 110.893 -178.488 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.519 HD13 ' O ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -121.29 -48.22 2.82 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.269 0 N-CA-C 102.729 -3.063 . . . . 0.0 102.729 176.623 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.476 ' O ' ' HB3' ' A' ' 19' ' ' ARG . 7.8 mm-40 -66.39 -28.31 68.53 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 104.6 -2.37 . . . . 0.0 104.6 174.022 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.519 ' O ' ' N ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -90.31 -37.38 14.1 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 179.143 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.61 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 3.4 tp -50.04 -27.5 5.64 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 176.837 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.5 ttm-85 -71.43 -57.69 4.21 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 177.532 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.607 ' HA ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -64.44 -11.94 38.45 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 179.356 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -74.71 -33.93 62.49 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 104.586 -2.376 . . . . 0.0 104.586 176.146 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.61 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 23.7 m-85 -90.94 -22.69 20.73 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 176.813 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.607 ' CD1' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -20.61 -69.97 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.427 0 CA-C-O 121.69 0.757 . . . . 0.0 110.578 179.903 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.533 ' O ' ' CG2' ' A' ' 28' ' ' ILE . 3.8 mt -76.75 -33.97 58.08 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.557 -0.715 . . . . 0.0 109.287 179.901 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -69.1 -13.71 62.59 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.126 -0.984 . . . . 0.0 110.368 -179.761 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.57 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -87.5 -64.27 1.17 Allowed 'General case' 0 C--N 1.307 -1.255 0 O-C-N 120.971 -1.08 . . . . 0.0 111.265 -178.913 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.538 ' CD1' HG21 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -67.05 -1.78 4.62 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.266 -0.896 . . . . 0.0 111.281 -178.273 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.538 HG21 ' CD1' ' A' ' 27' ' ' LEU . 2.4 pp -96.1 3.17 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 120.636 -1.29 . . . . 0.0 109.634 179.353 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 28' ' ' ILE . . . 172.08 82.55 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.077 -1.014 . . . . 0.0 109.774 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -129.05 50.37 2.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.28 -0.888 . . . . 0.0 109.061 179.708 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 mt -81.16 122.14 35.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.415 -0.803 . . . . 0.0 109.443 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.18 54.09 1.95 Allowed 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.668 -0.645 . . . . 0.0 109.659 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.3 p -122.71 115.29 21.82 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.258 -0.902 . . . . 0.0 109.481 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.487 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.453 HG22 ' N ' ' A' ' 3' ' ' SER . 2.6 p . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 121.267 0.556 . . . . 0.0 109.641 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.453 ' N ' HG22 ' A' ' 2' ' ' VAL . 1.3 p -105.25 -173.72 2.37 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.215 -0.928 . . . . 0.0 109.384 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -81.87 -68.67 0.68 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.253 -0.905 . . . . 0.0 109.409 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -46.77 -28.3 1.49 Allowed 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.316 -0.865 . . . . 0.0 109.933 -179.808 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -48.9 172.52 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 178.854 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.452 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER 69.16 -69.88 0.15 Allowed 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 106.43 -1.693 . . . . 0.0 106.43 -177.884 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 8' ' ' LEU . 1.9 tp -64.01 -32.8 74.47 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 176.133 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.616 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 11.9 t-80 -98.69 45.21 1.01 Allowed 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.6 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.55 ' O ' ' N ' ' A' ' 12' ' ' GLY . 8.7 t0 -25.77 -47.11 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.931 -0.481 . . . . 0.0 110.965 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 9' ' ' HIS . 2.3 mmtm -43.92 93.41 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.438 -0.789 . . . . 0.0 109.134 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . 151.11 -36.16 0.89 Allowed Glycine 0 N--CA 1.487 2.058 0 N-CA-C 108.809 -1.716 . . . . 0.0 108.809 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' A' ' 12' ' ' GLY . 12.6 mmtt . . . . . 0 N--CA 1.485 1.293 0 O-C-N 121.296 -1.12 . . . . 0.0 109.919 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.454 ' HA ' HD22 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -49.59 -27.53 4.63 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 177.65 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -66.83 -49.16 66.65 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.188 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.635 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -65.68 -11.86 48.65 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.763 0.792 . . . . 0.0 109.049 179.67 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -31.61 53.89 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 176.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.556 ' O ' ' N ' ' A' ' 26' ' ' HIS . 25.4 m-85 -92.46 -22.78 19.41 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 177.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.635 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -18.67 -75.94 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.441 0 CA-C-O 121.537 0.684 . . . . 0.0 110.677 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 24' ' ' LEU . 3.6 mp -73.32 -35.28 66.03 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 22' ' ' PHE . 5.2 t60 -56.46 -31.97 64.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.903 . . . . 0.0 109.141 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.7 t60 . . . . . 0 C--N 1.307 -1.258 0 O-C-N 121.321 -0.862 . . . . 0.0 110.285 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 p -49.63 138.43 14.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.219 -0.925 . . . . 0.0 109.458 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.1 tt0 -85.06 -39.4 18.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.31 -0.869 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.477 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -43.49 -39.21 3.23 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.456 -0.778 . . . . 0.0 109.758 -179.686 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -45.43 159.45 0.06 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.166 -0.959 . . . . 0.0 108.619 179.493 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.533 HD23 ' HE2' ' A' ' 13' ' ' LYS . 0.4 OUTLIER 75.3 -50.02 0.64 Allowed 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.14 -0.975 . . . . 0.0 109.691 -179.555 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 8' ' ' LEU . 14.3 tp -64.44 -8.9 15.15 Favored 'General case' 0 C--N 1.309 -1.154 0 O-C-N 120.949 -1.094 . . . . 0.0 109.985 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.549 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 10.2 m170 -78.5 -38.41 40.84 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 122.958 1.361 . . . . 0.0 107.715 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.482 ' HB3' ' O ' ' A' ' 7' ' ' LEU . 1.6 t70 -37.25 93.17 0.01 OUTLIER 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.577 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -48.2 110.52 0.34 Allowed 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.066 -1.021 . . . . 0.0 108.973 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 148.27 -35.93 1.13 Allowed Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.467 -1.853 . . . . 0.0 108.467 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.533 ' HE2' HD23 ' A' ' 7' ' ' LEU . 6.5 mmtt . . . . . 0 C--N 1.305 -1.352 0 O-C-N 121.51 -0.994 . . . . 0.0 109.389 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.603 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 14.0 tp -49.76 -27.66 5.2 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 177.13 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -70.4 -43.58 69.73 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 177.565 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.676 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -77.66 -23.46 49.65 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.274 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.46 ' HB2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -62.26 -30.43 71.11 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 104.375 -2.454 . . . . 0.0 104.375 175.732 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.603 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 21.6 m-85 -92.17 -28.65 16.93 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 177.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.676 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -22.62 -73.97 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.412 0 CA-C-O 121.602 0.715 . . . . 0.0 110.562 -179.397 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.45 -38.93 88.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.506 -0.747 . . . . 0.0 109.199 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.511 ' HB2' ' HA ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -55.36 -45.2 76.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.251 -0.905 . . . . 0.0 109.451 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.7 t60 . . . . . 0 C--N 1.304 -1.404 0 O-C-N 121.135 -0.978 . . . . 0.0 110.527 -179.914 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.593 HG13 ' H ' ' A' ' 3' ' ' SER . 2.1 p . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 121.116 0.484 . . . . 0.0 109.842 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.593 ' H ' HG13 ' A' ' 2' ' ' VAL . 12.4 t -116.84 167.16 11.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.187 -0.946 . . . . 0.0 109.686 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -92.45 -53.77 4.07 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.352 -0.843 . . . . 0.0 109.446 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.489 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.9 OUTLIER -45.26 -53.43 8.37 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.467 -0.771 . . . . 0.0 109.965 -179.553 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -45.32 162.37 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.498 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.517 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.4 OUTLIER 76.83 -49.39 0.55 Allowed 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.148 -0.97 . . . . 0.0 109.431 -179.335 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.726 HD12 ' O ' ' A' ' 8' ' ' LEU . 5.0 tp -63.99 -37.78 88.69 Favored 'General case' 0 C--N 1.313 -1.005 0 O-C-N 120.804 -1.185 . . . . 0.0 109.46 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.539 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 10.6 m170 -82.94 -35.98 25.56 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 122.993 1.378 . . . . 0.0 107.848 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.603 ' HA ' ' CD ' ' A' ' 13' ' ' LYS . 0.8 OUTLIER -55.37 -20.62 12.43 Favored 'General case' 0 C--N 1.282 -2.356 0 CA-C-N 114.024 -1.444 . . . . 0.0 110.223 179.688 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.61 3.72 10.9 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.281 -0.887 . . . . 0.0 109.449 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -114.14 -1.53 23.67 Favored Glycine 0 N--CA 1.486 1.967 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.603 ' CD ' ' HA ' ' A' ' 10' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.483 1.192 0 O-C-N 121.006 -1.291 . . . . 0.0 109.815 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.512 ' OD1' ' CD ' ' A' ' 20' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.82 HD12 ' CE2' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -49.72 -29.44 7.57 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 177.36 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.542 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -64.16 -49.81 70.62 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.348 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.689 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 5.1 ptm180 -67.5 -33.0 74.19 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.587 ' HD2' HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -53.55 -29.21 35.93 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 176.31 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.82 ' CE2' HD12 ' A' ' 18' ' ' LEU . 21.9 m-85 -97.3 -27.3 14.57 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.689 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -21.76 -66.43 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.437 0 CA-C-O 121.483 0.659 . . . . 0.0 110.713 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mp -78.29 -40.67 36.17 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.468 -0.77 . . . . 0.0 109.523 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -58.49 -28.21 65.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.08 -1.013 . . . . 0.0 109.282 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.545 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.307 -1.264 0 O-C-N 121.191 -0.943 . . . . 0.0 109.928 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -95.58 135.25 37.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.23 -0.919 . . . . 0.0 109.433 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -54.76 -32.0 59.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.323 -0.861 . . . . 0.0 109.69 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.417 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -58.09 -11.75 2.83 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.384 -0.823 . . . . 0.0 110.655 -179.161 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.2 32.87 0.61 Allowed 'General case' 0 N--CA 1.485 1.284 0 O-C-N 120.914 -1.116 . . . . 0.0 110.148 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.491 HD23 ' HB2' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -119.77 -69.95 0.82 Allowed 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 179.438 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.93 HD13 ' N ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -56.46 -43.23 79.35 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.079 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.93 ' N ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -44.05 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.525 0.679 . . . . 0.0 109.695 178.391 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.609 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 7.3 t70 -63.55 -14.18 48.7 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.47 -0.768 . . . . 0.0 110.108 -178.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 10' ' ' ASP . 4.0 tmtp? 38.35 28.54 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.498 -0.751 . . . . 0.0 110.417 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . -144.0 11.25 2.09 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.535 ' HG2' ' HB3' ' A' ' 10' ' ' ASP . 5.4 mmtp . . . . . 0 C--N 1.305 -1.351 0 O-C-N 121.382 -1.069 . . . . 0.0 110.078 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.637 HD22 ' HD2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -49.61 -28.81 6.19 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 105.663 -1.977 . . . . 0.0 105.663 177.018 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -69.1 -58.95 3.39 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.821 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.627 ' HA ' ' CD2' ' A' ' 23' ' ' PHE . 9.1 ptm180 -59.76 -18.59 44.4 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.637 ' HD2' HD22 ' A' ' 18' ' ' LEU . 1.6 mtm-85 -70.65 -31.27 68.13 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 105.458 -2.053 . . . . 0.0 105.458 176.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 23.5 m-85 -95.68 -20.12 19.17 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 177.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.627 ' CD2' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -21.45 -79.59 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.479 0 CA-C-O 121.71 0.767 . . . . 0.0 110.302 -179.134 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.99 -32.74 73.35 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.4 t-80 -57.61 -41.04 80.47 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 118.864 -1.135 . . . . 0.0 109.073 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.4 t60 . . . . . 0 C--N 1.306 -1.288 0 O-C-N 121.239 -0.913 . . . . 0.0 110.079 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 121.22 0.534 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -136.55 175.14 9.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.306 -0.871 . . . . 0.0 109.285 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.404 ' N ' ' OG ' ' A' ' 3' ' ' SER . 3.3 tp10 -73.91 -59.57 2.66 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.207 -0.933 . . . . 0.0 109.505 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.486 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.5 OUTLIER -48.57 -25.41 1.71 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.246 -0.909 . . . . 0.0 109.865 -179.714 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -48.66 172.1 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 179.039 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 70.95 -66.96 0.27 Allowed 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 -178.304 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.0 tp -69.38 -34.97 75.32 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 176.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 11.4 t-80 -80.26 5.52 14.45 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.818 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.552 ' O ' ' C ' ' A' ' 11' ' ' LYS . 4.6 t70 21.5 -94.53 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.373 0 O-C-N 122.219 -0.3 . . . . 0.0 111.578 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER 22.9 87.55 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 121.043 0.449 . . . . 0.0 110.892 179.783 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 136.33 -29.45 2.8 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.479 ' HB2' ' OD1' ' A' ' 10' ' ' ASP . 7.2 mmmt . . . . . 0 CA--C 1.491 -1.313 0 O-C-N 121.659 -0.907 . . . . 0.0 109.25 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.471 ' C ' ' N ' ' A' ' 19' ' ' ARG . 53.1 m-20 . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 17' ' ' ASP . 42.5 tp -48.48 -26.92 2.37 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 177.101 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -71.67 -48.89 44.49 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.457 177.849 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.667 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -63.2 -12.57 29.22 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.21 -0.996 . . . . 0.0 109.044 -179.72 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.04 -33.9 63.9 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 176.185 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.535 ' O ' ' C ' ' A' ' 23' ' ' PHE . 55.4 m-85 -91.31 -21.83 20.85 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.667 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -23.47 -77.32 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.339 0 CA-C-O 121.64 0.733 . . . . 0.0 110.141 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.48 -38.72 91.99 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' PHE . 7.9 t60 -52.67 -40.76 63.18 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.051 -1.03 . . . . 0.0 109.011 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.9 t60 . . . . . 0 C--N 1.305 -1.339 0 O-C-N 121.242 -0.911 . . . . 0.0 110.09 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 2' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 121.338 0.589 . . . . 0.0 110.176 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -51.47 168.2 0.08 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.328 -0.858 . . . . 0.0 109.282 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.588 ' HA ' HD12 ' A' ' 7' ' ' LEU . 1.5 tp10 -72.52 -64.26 0.99 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.233 -0.917 . . . . 0.0 109.608 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -48.62 -20.68 0.48 Allowed 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.35 -0.844 . . . . 0.0 110.279 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.487 ' O ' ' HA ' ' A' ' 10' ' ' ASP . 1.1 mt-30 -84.52 18.29 2.35 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.024 -1.048 . . . . 0.0 110.32 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 4' ' ' GLU . 2.0 mt -94.21 -66.73 0.9 Allowed 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 178.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 8' ' ' LEU . 6.2 tp -62.74 -45.09 94.32 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 177.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.662 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 4.2 t60 -88.2 38.42 0.85 Allowed 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 121.722 0.772 . . . . 0.0 109.245 178.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.493 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 13.4 t70 -40.06 88.98 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.188 -0.945 . . . . 0.0 110.625 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 9' ' ' HIS . 2.5 tptt -53.7 100.46 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.992 -1.068 . . . . 0.0 109.175 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.07 -13.61 0.47 Allowed Glycine 0 N--CA 1.491 2.358 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.314 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.493 ' HD2' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.327 0 O-C-N 120.969 -1.312 . . . . 0.0 109.142 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.508 ' OD2' ' NE ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.552 HD12 ' HE ' ' A' ' 21' ' ' ARG . 13.5 tp -51.47 -26.77 8.82 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 105.701 -1.962 . . . . 0.0 105.701 177.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -66.94 -48.09 69.66 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.86 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.661 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -63.47 -33.51 75.72 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.078 -1.049 . . . . 0.0 108.362 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.552 ' HE ' HD12 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -53.33 -29.52 34.33 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 176.555 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.568 ' O ' ' N ' ' A' ' 26' ' ' HIS . 22.5 m-85 -95.2 -28.93 14.79 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 177.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.661 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -20.95 -60.04 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.429 0 CA-C-O 121.685 0.755 . . . . 0.0 110.328 -179.448 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 mt -76.78 -46.02 26.68 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 22' ' ' PHE . 3.6 m-70 -62.52 -14.04 37.39 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.053 -1.029 . . . . 0.0 109.378 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.568 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.8 t60 . . . . . 0 C--N 1.303 -1.427 0 O-C-N 121.4 -0.812 . . . . 0.0 110.437 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.584 HG13 ' N ' ' A' ' 3' ' ' SER . 7.1 p . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 121.268 0.556 . . . . 0.0 109.521 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.584 ' N ' HG13 ' A' ' 2' ' ' VAL . 86.0 p -74.91 154.51 38.15 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.211 -0.931 . . . . 0.0 109.297 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 5' ' ' HIS . 1.1 tt0 -54.14 -97.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.177 -0.952 . . . . 0.0 109.726 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.561 ' ND1' ' NE2' ' A' ' 9' ' ' HIS . 1.0 OUTLIER -82.82 -28.21 30.35 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.188 -0.945 . . . . 0.0 109.931 -179.546 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.5 ' HB2' ' HB2' ' A' ' 3' ' ' SER . 1.6 mm100 -43.62 163.46 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.298 -0.877 . . . . 0.0 108.788 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 73.11 -52.05 0.71 Allowed 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.986 -1.071 . . . . 0.0 109.434 -179.371 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.483 ' HB3' ' O ' ' A' ' 5' ' ' HIS . 30.1 tp -64.02 -29.84 70.96 Favored 'General case' 0 C--N 1.309 -1.157 0 O-C-N 120.794 -1.191 . . . . 0.0 109.924 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.573 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 10.0 m170 -99.68 -30.7 11.95 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 122.656 1.217 . . . . 0.0 108.011 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -33.26 104.2 0.03 OUTLIER 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 114.406 -1.27 . . . . 0.0 110.958 178.528 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -62.43 111.24 1.94 Allowed 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.129 -0.982 . . . . 0.0 109.678 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.21 -18.29 3.51 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 7' ' ' LEU . 1.4 mmtp . . . . . 0 CA--C 1.481 -1.698 0 O-C-N 121.811 -0.817 . . . . 0.0 109.621 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.479 ' C ' ' N ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.542 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 1.6 mm? -46.68 -27.85 1.31 Allowed 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 177.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -66.63 -54.01 27.97 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 177.736 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.64 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 2.7 ptm180 -57.82 -30.66 65.91 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.591 -0.844 . . . . 0.0 109.257 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.461 ' HD2' ' HG ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -58.43 -29.79 66.4 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 105.506 -2.035 . . . . 0.0 105.506 176.652 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.547 ' O ' ' C ' ' A' ' 23' ' ' PHE . 26.8 m-85 -96.51 -23.57 16.49 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.64 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -22.71 -78.74 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.501 0 CA-C-O 121.525 0.678 . . . . 0.0 110.148 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.8 mp -64.64 -37.47 87.7 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.511 -0.743 . . . . 0.0 109.061 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 22' ' ' PHE . 2.1 t-160 -54.76 -43.36 72.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.143 -0.973 . . . . 0.0 109.209 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 22' ' ' PHE . 2.0 t60 . . . . . 0 C--N 1.305 -1.343 0 O-C-N 121.37 -0.832 . . . . 0.0 110.038 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 3' ' ' SER . 37.9 t . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.167 0.508 . . . . 0.0 109.783 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.489 ' N ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -46.1 119.48 2.31 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.287 -0.883 . . . . 0.0 109.1 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 6' ' ' GLN . 9.0 tm-20 -53.67 -43.52 68.93 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 0.0 109.483 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 9' ' ' HIS . 0.4 OUTLIER -45.29 -22.87 0.14 Allowed 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.39 -0.819 . . . . 0.0 110.331 -179.48 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 8' ' ' LEU . 4.2 mm-40 -47.67 171.8 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.458 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 69.48 -70.22 0.15 Allowed 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 -177.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.673 HD12 ' O ' ' A' ' 8' ' ' LEU . 4.0 tp -65.63 -31.49 72.54 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 176.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.61 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 10.7 t-160 -98.22 41.37 1.13 Allowed 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.731 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 9' ' ' HIS . 9.1 t0 -30.02 147.61 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 121.281 0.562 . . . . 0.0 110.569 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.05 30.93 0.65 Allowed 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.113 -0.992 . . . . 0.0 109.97 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.471 ' O ' ' HD3' ' A' ' 13' ' ' LYS . . . -137.66 11.35 3.72 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 12' ' ' GLY . 24.8 mmtp . . . . . 0 C--N 1.306 -1.291 0 O-C-N 121.351 -1.088 . . . . 0.0 110.435 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.48 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 3.0 t70 . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 1.131 HD22 ' CZ ' ' A' ' 22' ' ' PHE . 2.7 mt -54.07 -33.75 58.31 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 177.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.553 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -57.03 -41.13 78.02 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 114.606 -1.179 . . . . 0.0 108.134 178.002 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.667 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -84.37 -26.0 28.71 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.503 ' HB2' ' HA ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -65.94 -29.51 69.93 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 104.723 -2.325 . . . . 0.0 104.723 175.907 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 1.131 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 19.3 m-85 -95.73 -21.18 18.33 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.667 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -24.11 -69.05 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.315 0 CA-C-O 121.523 0.678 . . . . 0.0 110.54 -179.372 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.741 HD22 ' H ' ' A' ' 24' ' ' LEU . 1.3 mm? -75.43 -37.23 60.54 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.552 -0.717 . . . . 0.0 109.434 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -67.19 -12.73 60.82 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.042 -1.036 . . . . 0.0 110.248 -179.412 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.571 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.305 -1.336 0 O-C-N 121.025 -1.047 . . . . 0.0 110.904 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 3' ' ' SER . 3.4 p . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.204 0.526 . . . . 0.0 109.749 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.434 ' O ' HG22 ' A' ' 2' ' ' VAL . 8.1 t -77.86 173.95 11.56 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.252 -0.905 . . . . 0.0 109.338 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 5' ' ' HIS . 1.0 OUTLIER -71.24 -71.06 0.28 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.24 -0.913 . . . . 0.0 109.302 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.472 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -44.21 -34.13 1.78 Allowed 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.275 -0.891 . . . . 0.0 109.535 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.518 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -44.92 160.53 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.435 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.518 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER 74.47 -51.66 0.68 Allowed 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.098 -1.001 . . . . 0.0 109.625 -179.683 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.764 HD12 ' O ' ' A' ' 8' ' ' LEU . 6.8 tp -64.88 -14.22 58.95 Favored 'General case' 0 C--N 1.311 -1.101 0 O-C-N 120.859 -1.15 . . . . 0.0 110.0 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.514 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 11.3 m170 -70.61 -28.97 65.25 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 122.801 1.286 . . . . 0.0 107.731 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.0 OUTLIER -39.62 -28.98 0.05 OUTLIER 'General case' 0 C--N 1.283 -2.32 0 CA-C-N 114.246 -1.343 . . . . 0.0 110.113 178.031 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -42.69 91.37 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.53 -0.731 . . . . 0.0 109.519 -179.553 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . 163.42 -28.22 0.23 Allowed Glycine 0 N--CA 1.485 1.953 0 N-CA-C 108.459 -1.856 . . . . 0.0 108.459 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 12' ' ' GLY . 66.4 mmtt . . . . . 0 C--N 1.308 -1.222 0 O-C-N 121.536 -0.979 . . . . 0.0 109.836 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.207 -1.179 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.58 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -50.5 -29.52 10.7 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 105.724 -1.954 . . . . 0.0 105.724 177.173 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.507 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.5 ttm-85 -67.83 -63.33 1.08 Allowed 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.72 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 21.7 ttm-85 -55.74 -33.93 64.71 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.503 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 17' ' ' ASP . 0.7 OUTLIER -52.14 -34.66 45.56 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 105.337 -2.097 . . . . 0.0 105.337 176.771 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.602 ' O ' ' N ' ' A' ' 26' ' ' HIS . 23.7 m-85 -90.17 -28.13 19.11 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 177.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.72 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -11.27 -75.9 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.387 0 CA-C-O 121.508 0.67 . . . . 0.0 111.367 -179.19 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.86 -31.82 31.38 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.575 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.1 m170 -63.47 -21.78 66.51 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.155 -0.965 . . . . 0.0 109.18 179.047 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.602 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.1 t60 . . . . . 0 N--CA 1.481 1.084 0 O-C-N 121.084 -1.01 . . . . 0.0 110.422 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 121.313 0.578 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.483 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -87.59 146.61 25.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.206 -0.934 . . . . 0.0 109.449 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.6 tm-20 -61.66 -65.92 0.62 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.246 -0.908 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.489 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -43.51 -38.45 2.9 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.382 -0.824 . . . . 0.0 109.641 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 1.2 mm-40 -45.51 159.09 0.07 Allowed 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.148 -0.97 . . . . 0.0 108.691 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.513 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER 75.35 -51.84 0.65 Allowed 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.182 -0.948 . . . . 0.0 109.577 -179.696 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.909 ' O ' HD13 ' A' ' 8' ' ' LEU . 2.5 tm? -61.03 -18.65 58.93 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 120.929 -1.107 . . . . 0.0 109.744 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.555 ' O ' ' N ' ' A' ' 11' ' ' LYS . 12.0 m170 -64.29 -69.95 0.25 Allowed 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.592 ' O ' ' C ' ' A' ' 11' ' ' LYS . 4.3 t0 28.02 -88.27 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.596 176.12 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.4 OUTLIER 1.37 83.95 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.324 0 CA-C-O 121.374 0.607 . . . . 0.0 111.591 179.62 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.74 -21.04 2.18 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 108.416 -1.874 . . . . 0.0 108.416 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt . . . . . 0 CA--C 1.482 -1.635 0 O-C-N 121.761 -0.847 . . . . 0.0 109.075 178.968 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.545 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 6.4 t0 . . . . . 0 N--CA 1.486 1.35 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.572 HD12 ' CE2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -47.63 -27.27 1.8 Allowed 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 177.095 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -71.9 -54.49 9.87 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.811 177.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.655 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 8.1 ptm180 -57.35 -30.36 64.76 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.152 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.42 -28.59 65.39 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 105.637 -1.986 . . . . 0.0 105.637 176.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CE2' HD12 ' A' ' 18' ' ' LEU . 21.8 m-85 -97.35 -23.79 15.95 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.655 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -24.98 -75.81 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.408 0 CA-C-O 121.501 0.667 . . . . 0.0 110.413 -179.494 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.6 -45.09 76.48 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.488 -0.758 . . . . 0.0 109.003 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -48.24 -28.31 2.98 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.107 -0.996 . . . . 0.0 108.794 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.7 t60 . . . . . 0 C--N 1.306 -1.31 0 O-C-N 121.299 -0.876 . . . . 0.0 109.991 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.511 ' O ' ' O ' ' A' ' 3' ' ' SER . 7.2 p . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.511 ' O ' ' O ' ' A' ' 2' ' ' VAL . 4.9 p 39.5 98.82 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.616 -0.678 . . . . 0.0 110.587 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 3' ' ' SER . 23.6 tt0 -40.28 -44.24 1.87 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.458 -0.776 . . . . 0.0 109.73 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -45.58 -31.62 1.94 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.37 -0.831 . . . . 0.0 109.707 -179.83 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 1.8 mm100 -44.94 161.14 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.215 -0.928 . . . . 0.0 108.744 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.5 OUTLIER 74.16 -52.35 0.69 Allowed 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.088 -1.008 . . . . 0.0 109.617 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' A' ' 5' ' ' HIS . 33.4 tp -59.69 -29.64 68.24 Favored 'General case' 0 C--N 1.311 -1.068 0 O-C-N 121.027 -1.046 . . . . 0.0 109.825 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' A' ' 11' ' ' LYS . 11.9 m170 -68.76 -62.26 1.46 Allowed 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.21 -0.932 . . . . 0.0 108.504 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.1 t70 28.67 -87.4 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.822 176.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.56 ' N ' ' O ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -40.96 95.58 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.717 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . 132.95 -25.63 3.68 Favored Glycine 0 N--CA 1.484 1.851 0 N-CA-C 108.601 -1.799 . . . . 0.0 108.601 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp . . . . . 0 N--CA 1.487 1.378 0 O-C-N 121.495 -1.003 . . . . 0.0 108.793 178.823 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 20' ' ' ARG . 41.9 m-20 . . . . . 0 N--CA 1.484 1.256 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.851 HD22 ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -49.22 -28.26 4.43 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 177.362 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -67.76 -44.44 77.48 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.84 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.687 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -69.98 -33.19 71.75 Favored 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 119.076 -1.05 . . . . 0.0 108.872 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -54.92 -27.97 47.24 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 176.333 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.851 ' CE2' HD22 ' A' ' 18' ' ' LEU . 20.5 m-85 -96.37 -26.92 15.17 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.175 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.687 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -24.45 -82.37 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.512 0 CA-C-O 121.588 0.709 . . . . 0.0 110.182 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 24' ' ' LEU . 4.3 mt -58.18 -47.55 83.04 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.0 t-160 -44.27 -34.32 1.88 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.393 -0.817 . . . . 0.0 108.907 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.304 -1.409 0 O-C-N 121.436 -0.79 . . . . 0.0 110.156 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.566 HG13 ' N ' ' A' ' 3' ' ' SER . 7.6 p . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 121.196 0.522 . . . . 0.0 109.702 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.566 ' N ' HG13 ' A' ' 2' ' ' VAL . 41.0 t -117.04 -174.97 2.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 109.534 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 5' ' ' HIS . 0.8 OUTLIER -78.18 -61.38 2.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.346 -0.846 . . . . 0.0 109.718 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.519 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -40.43 -41.56 1.43 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.594 -0.691 . . . . 0.0 110.223 -179.361 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -47.19 160.64 0.09 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.909 -1.119 . . . . 0.0 108.539 179.454 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.515 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 75.64 -50.97 0.63 Allowed 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.151 -0.968 . . . . 0.0 109.753 -179.694 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.848 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.8 tp -56.83 -30.58 63.9 Favored 'General case' 0 C--N 1.31 -1.133 0 O-C-N 120.766 -1.208 . . . . 0.0 108.994 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.519 ' O ' ' C ' ' A' ' 10' ' ' ASP . 1.9 m80 -62.87 -61.25 2.53 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.519 ' C ' ' O ' ' A' ' 9' ' ' HIS . 3.0 t0 25.55 89.61 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.762 175.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -43.61 99.89 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.199 -0.938 . . . . 0.0 109.383 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 151.39 -35.02 0.89 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.371 -1.491 . . . . 0.0 109.371 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 12' ' ' GLY . 53.9 mmtt . . . . . 0 N--CA 1.486 1.342 0 O-C-N 121.368 -1.078 . . . . 0.0 110.166 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.547 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 9.3 tp -50.74 -27.21 6.68 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 177.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.534 ' NH1' ' HB2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -66.66 -44.58 81.49 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 177.884 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.629 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -72.98 -5.81 41.19 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.926 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.02 -35.84 36.71 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 103.922 -2.622 . . . . 0.0 103.922 175.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.547 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 29.7 m-85 -86.34 -24.27 25.9 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 176.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.629 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -20.91 -73.88 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.316 0 CA-C-O 121.476 0.655 . . . . 0.0 110.596 179.765 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mt -69.99 -38.32 75.98 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.4 t-160 -54.57 -44.92 73.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.242 -0.912 . . . . 0.0 109.034 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' A' ' 22' ' ' PHE . 4.1 t60 . . . . . 0 C--N 1.307 -1.274 0 O-C-N 121.265 -0.897 . . . . 0.0 109.601 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.701 HG22 ' H ' ' A' ' 3' ' ' SER . 1.5 p . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 121.299 0.571 . . . . 0.0 109.956 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.701 ' H ' HG22 ' A' ' 2' ' ' VAL . 13.4 t -80.8 113.19 18.84 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.995 -1.066 . . . . 0.0 109.414 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 5' ' ' HIS . 80.6 tt0 -69.49 -37.53 77.25 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.372 -0.83 . . . . 0.0 109.657 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.483 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -42.24 -26.91 0.12 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.42 -0.8 . . . . 0.0 110.088 -179.307 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -50.07 174.86 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 178.65 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER 68.55 -67.01 0.22 Allowed 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -178.271 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 6' ' ' GLN . 9.0 tp -66.66 -32.41 73.71 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 176.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.634 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 8.5 t60 -93.76 38.07 1.07 Allowed 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.584 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 9' ' ' HIS . 54.9 t0 -33.33 92.37 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.426 -0.797 . . . . 0.0 110.574 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -63.41 116.91 5.98 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.257 -0.902 . . . . 0.0 109.706 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.63 -26.14 3.2 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.485 -1.536 0 O-C-N 121.515 -0.991 . . . . 0.0 108.776 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 21.0 m-20 . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.707 HD13 ' HE ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -47.61 -27.01 1.66 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 177.154 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -72.25 -52.01 18.33 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.911 -1.041 . . . . 0.0 108.983 178.158 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.646 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 7.7 ptm180 -59.36 -32.89 70.53 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 119.154 -1.018 . . . . 0.0 109.293 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.707 ' HE ' HD13 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -55.66 -28.84 57.66 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 176.686 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 23.1 m-85 -96.96 -24.89 15.61 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.193 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.646 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -23.11 -78.61 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.525 0 CA-C-O 121.385 0.612 . . . . 0.0 110.203 -179.828 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 25' ' ' HIS . 0.8 OUTLIER -63.08 -38.83 92.75 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.01 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 22' ' ' PHE . 3.0 t60 -44.31 -37.16 3.13 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.133 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 C--N 1.305 -1.349 0 O-C-N 121.635 -0.666 . . . . 0.0 109.645 179.202 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 121.32 0.581 . . . . 0.0 109.849 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 t -139.94 148.97 42.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 0.0 109.346 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.689 ' HA ' HD12 ' A' ' 7' ' ' LEU . 22.8 tt0 -65.72 -56.42 12.14 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.261 -0.9 . . . . 0.0 109.632 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 0.4 OUTLIER -47.95 -22.13 0.54 Allowed 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.285 -0.884 . . . . 0.0 110.012 -179.513 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.489 ' O ' ' HA ' ' A' ' 10' ' ' ASP . 0.5 OUTLIER -84.86 21.53 1.56 Allowed 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.16 -0.962 . . . . 0.0 110.481 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -102.0 -66.7 0.91 Allowed 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 178.21 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.013 HD13 ' N ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -61.51 -44.6 96.77 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 177.115 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 1.013 ' N ' HD13 ' A' ' 8' ' ' LEU . 7.4 t-160 -93.96 44.21 1.12 Allowed 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.489 ' HA ' ' O ' ' A' ' 6' ' ' GLN . 2.8 t70 -39.07 92.34 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.336 -0.852 . . . . 0.0 110.455 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' A' ' 9' ' ' HIS . 3.0 tmtt? -63.76 103.63 0.58 Allowed 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.328 -0.858 . . . . 0.0 109.109 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.57 -15.53 2.68 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HG2' ' OD1' ' A' ' 10' ' ' ASP . 0.0 OUTLIER . . . . . 0 CA--C 1.481 -1.702 0 O-C-N 121.62 -0.929 . . . . 0.0 109.17 179.058 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.482 1.159 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.584 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 49.1 tp -49.49 -26.82 3.68 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -65.2 -44.52 88.11 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 177.704 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.655 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -71.82 -15.5 62.15 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.857 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.49 -33.05 68.92 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 104.756 -2.312 . . . . 0.0 104.756 176.079 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.611 ' O ' ' N ' ' A' ' 26' ' ' HIS . 24.7 m-85 -93.53 -20.61 20.09 Favored 'General case' 0 C--O 1.203 -1.35 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 177.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.655 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -23.88 -54.61 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.344 0 CA-C-O 121.557 0.694 . . . . 0.0 110.617 -179.498 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.6 mt -94.45 -26.65 16.39 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.412 -0.805 . . . . 0.0 108.968 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 22' ' ' PHE . 7.0 t60 -76.48 -21.54 55.69 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.309 -0.869 . . . . 0.0 109.684 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.611 ' N ' ' O ' ' A' ' 22' ' ' PHE . 2.1 t60 . . . . . 0 C--N 1.308 -1.234 0 O-C-N 121.228 -0.92 . . . . 0.0 110.733 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.481 ' O ' ' O ' ' A' ' 3' ' ' SER . 4.9 p . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.481 ' O ' ' O ' ' A' ' 2' ' ' VAL . 5.1 p 38.53 97.04 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.56 -0.713 . . . . 0.0 110.763 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 5' ' ' HIS . 53.4 tt0 -43.36 -47.4 6.81 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.215 -0.928 . . . . 0.0 109.815 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.484 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -42.19 -31.27 0.36 Allowed 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.442 -0.786 . . . . 0.0 110.236 -179.209 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 5.0 mm100 -49.07 172.85 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER 71.93 -66.71 0.29 Allowed 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 -178.233 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.4 tp -71.41 -37.35 71.51 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 177.195 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.513 ' O ' ' C ' ' A' ' 10' ' ' ASP . 12.1 t-80 -71.49 -5.16 31.02 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.935 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' A' ' 9' ' ' HIS . 4.2 t0 28.07 79.85 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.243 0.544 . . . . 0.0 111.64 178.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -46.9 -25.13 0.71 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.13 -0.981 . . . . 0.0 108.875 179.225 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.587 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . -178.21 -28.68 0.04 OUTLIER Glycine 0 N--CA 1.491 2.301 0 C-N-CA 119.886 -1.149 . . . . 0.0 110.276 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.587 ' O ' ' O ' ' A' ' 12' ' ' GLY . 41.2 mmtt . . . . . 0 N--CA 1.487 1.398 0 O-C-N 121.589 -0.948 . . . . 0.0 111.752 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 20' ' ' ARG . 5.7 m-20 . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.587 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 1.6 pp -47.24 -29.01 2.14 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 177.245 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.8 ttm180 -69.15 -53.28 20.94 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 114.355 -1.293 . . . . 0.0 107.91 176.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.658 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 6.5 ptm180 -67.43 -35.36 79.1 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.73 -27.9 31.1 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 176.452 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 12.6 m-30 -97.06 -27.24 14.68 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.073 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.658 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -22.16 -76.12 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.475 0 CA-C-O 121.502 0.668 . . . . 0.0 110.394 -179.797 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mt -66.92 -42.2 85.77 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.426 -0.796 . . . . 0.0 108.862 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.8 OUTLIER -48.42 -39.19 21.78 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.235 -0.915 . . . . 0.0 108.747 179.496 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.7 t60 . . . . . 0 C--N 1.305 -1.338 0 O-C-N 121.487 -0.758 . . . . 0.0 109.931 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.3 p . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 121.371 0.605 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 p -56.57 177.66 0.07 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.411 -0.805 . . . . 0.0 109.56 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 6' ' ' GLN . 7.8 tt0 -103.45 -35.39 8.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.236 -0.915 . . . . 0.0 109.541 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.478 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -40.76 -28.37 0.07 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.584 -0.698 . . . . 0.0 109.959 -179.476 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -46.94 168.5 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.049 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.8 OUTLIER 68.01 -69.16 0.15 Allowed 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.668 -1.27 . . . . 0.0 107.673 -178.457 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 6' ' ' GLN . 17.6 tp -61.36 -52.93 62.57 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 177.328 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.486 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 0.7 OUTLIER -42.7 -68.97 0.15 Allowed 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.155 178.264 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.486 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 8.8 t0 -94.29 68.08 3.58 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.554 -0.716 . . . . 0.0 109.807 -179.472 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ASP . 3.2 tttt -44.2 -37.36 3.13 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.082 -1.011 . . . . 0.0 109.23 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.639 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 159.9 36.88 0.02 OUTLIER Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.639 ' O ' ' O ' ' A' ' 12' ' ' GLY . 39.3 mmtm . . . . . 0 N--CA 1.506 2.372 0 CA-C-O 121.993 0.901 . . . . 0.0 112.18 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.519 ' OD2' ' NH2' ' A' ' 21' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.802 HD22 ' NE ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -49.47 -29.11 6.12 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 177.119 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -68.41 -49.65 58.47 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.712 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.618 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -73.32 -10.68 60.01 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.696 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.802 ' NE ' HD22 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -76.15 -34.3 59.39 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 104.443 -2.428 . . . . 0.0 104.443 176.154 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.639 ' CE2' HD12 ' A' ' 18' ' ' LEU . 25.5 m-85 -90.42 -23.94 20.9 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.618 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -17.48 -76.25 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.327 0 CA-C-O 121.319 0.58 . . . . 0.0 111.087 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.0 mp -78.09 -29.4 49.02 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.326 -0.859 . . . . 0.0 108.996 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.537 ' HB2' ' HA ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -65.87 -22.12 66.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.255 -0.903 . . . . 0.0 109.547 179.726 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.607 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.4 t60 . . . . . 0 C--N 1.309 -1.183 0 O-C-N 121.173 -0.955 . . . . 0.0 110.371 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.4 HG22 ' N ' ' A' ' 3' ' ' SER . 7.6 p . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 121.269 0.557 . . . . 0.0 109.688 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.4 ' N ' HG22 ' A' ' 2' ' ' VAL . 1.0 OUTLIER -58.08 124.54 19.68 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.195 -0.941 . . . . 0.0 109.321 179.701 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.1 tt0 -72.77 -26.5 61.56 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.259 -0.901 . . . . 0.0 109.215 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.534 ' HB3' ' NE2' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -42.82 -28.88 0.28 Allowed 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.426 -0.796 . . . . 0.0 109.979 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.505 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 3.0 mt-30 -42.62 158.41 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.348 -0.845 . . . . 0.0 109.069 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER 76.01 -49.58 0.6 Allowed 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.303 -0.873 . . . . 0.0 109.734 -179.704 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 8' ' ' LEU . 9.5 tp -65.82 -9.77 31.7 Favored 'General case' 0 C--N 1.311 -1.101 0 O-C-N 120.905 -1.122 . . . . 0.0 110.205 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.557 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 10.6 m170 -80.15 -32.17 38.9 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-O 122.814 1.292 . . . . 0.0 108.053 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.472 ' OD1' ' HG2' ' A' ' 13' ' ' LYS . 10.2 t0 -39.33 92.53 0.01 OUTLIER 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 114.336 -1.302 . . . . 0.0 110.204 178.412 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 9' ' ' HIS . 6.2 ttmm -68.83 -4.49 16.4 Favored 'General case' 0 C--N 1.307 -1.256 0 O-C-N 121.301 -0.874 . . . . 0.0 109.478 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.588 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 140.96 -4.35 2.37 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.588 ' O ' ' O ' ' A' ' 12' ' ' GLY . 20.0 mmtt . . . . . 0 N--CA 1.483 1.204 0 O-C-N 121.661 -0.905 . . . . 0.0 111.684 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.51 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 70.8 m-20 . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.588 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 5.5 tp -50.31 -27.76 6.72 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 105.174 -2.158 . . . . 0.0 105.174 176.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.544 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -74.65 -56.15 5.12 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.518 -1.219 . . . . 0.0 108.124 177.767 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.678 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 1.8 ptm180 -63.64 -25.47 68.23 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.214 -0.994 . . . . 0.0 108.696 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -61.37 -30.73 70.71 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 105.031 -2.211 . . . . 0.0 105.031 176.382 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.588 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 17.0 m-85 -95.59 -23.58 16.99 Favored 'General case' 0 C--N 1.309 -1.196 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.678 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -27.27 -82.23 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.472 0 CA-C-O 121.66 0.743 . . . . 0.0 110.035 -179.68 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.88 -46.23 74.72 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -49.14 -38.23 24.56 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.079 -1.013 . . . . 0.0 108.835 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 22' ' ' PHE . 3.2 t60 . . . . . 0 C--N 1.302 -1.478 0 O-C-N 121.616 -0.678 . . . . 0.0 110.077 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.52 ' O ' ' O ' ' A' ' 3' ' ' SER . 11.7 p . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.52 ' O ' ' O ' ' A' ' 2' ' ' VAL . 1.2 p 40.51 101.5 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.637 0.732 . . . . 0.0 110.787 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 3' ' ' SER . 14.2 tt0 -43.01 -34.46 1.0 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.103 -0.998 . . . . 0.0 109.412 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.725 ' ND1' HD23 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -50.03 -19.81 0.81 Allowed 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.343 -0.848 . . . . 0.0 110.011 -179.643 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.7 OUTLIER -47.25 170.24 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.146 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER 69.81 -67.47 0.23 Allowed 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -178.286 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.725 HD23 ' ND1' ' A' ' 5' ' ' HIS . 12.9 tp -59.61 -44.58 93.38 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 176.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.565 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 0.4 OUTLIER -48.58 -76.03 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 114.627 -1.17 . . . . 0.0 110.225 179.442 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.565 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 13.1 t0 -80.69 -45.68 16.76 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.483 -0.76 . . . . 0.0 110.366 -178.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.538 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 44.08 23.08 0.05 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.347 -0.846 . . . . 0.0 110.751 179.575 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.577 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 110.16 -28.16 10.76 Favored Glycine 0 N--CA 1.491 2.306 0 C-N-CA 119.694 -1.241 . . . . 0.0 110.139 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.577 ' O ' ' O ' ' A' ' 12' ' ' GLY . 21.3 mmtp . . . . . 0 N--CA 1.486 1.347 0 O-C-N 121.623 -0.928 . . . . 0.0 111.683 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.444 ' C ' ' N ' ' A' ' 19' ' ' ARG . 9.2 t0 . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.633 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 9.2 tp -50.4 -27.43 6.35 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 177.394 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.525 ' HG2' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -67.54 -61.67 1.78 Allowed 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.189 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.704 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -62.2 -28.02 69.38 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 178.812 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.503 ' HB2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -54.43 -34.51 61.55 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 104.638 -2.356 . . . . 0.0 104.638 176.189 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.633 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 20.9 m-85 -89.41 -28.63 19.62 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 176.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.704 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -13.58 -78.34 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.555 0 CA-C-O 121.625 0.726 . . . . 0.0 111.136 -178.869 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.79 -36.89 62.5 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -53.5 -31.86 47.86 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.303 -0.873 . . . . 0.0 108.826 179.265 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 22' ' ' PHE . 4.6 t60 . . . . . 0 C--N 1.31 -1.114 0 O-C-N 121.275 -0.891 . . . . 0.0 110.159 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 121.31 0.576 . . . . 0.0 109.685 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.96 157.95 36.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.894 . . . . 0.0 109.27 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.4 tt0 -78.44 -64.44 1.17 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.155 -0.966 . . . . 0.0 109.628 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.487 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -42.3 -35.23 0.94 Allowed 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.374 -0.829 . . . . 0.0 109.97 -179.491 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 2.6 mt-30 -46.3 163.12 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.01 -1.056 . . . . 0.0 108.293 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER 73.08 -52.56 0.71 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.062 -1.024 . . . . 0.0 109.765 -179.693 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 8' ' ' LEU . 9.5 tp -61.37 -19.6 62.05 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 120.893 -1.129 . . . . 0.0 109.815 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.541 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 9.9 m170 -81.13 -30.41 34.53 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.794 1.283 . . . . 0.0 107.902 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.564 ' OD2' ' CG ' ' A' ' 13' ' ' LYS . 1.9 t70 -90.98 12.59 19.19 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.785 -178.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.53 ' CB ' ' NZ ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -73.73 42.62 0.14 Allowed 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.997 -1.064 . . . . 0.0 110.105 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.635 ' HA2' ' CB ' ' A' ' 17' ' ' ASP . . . -161.87 15.84 0.15 Allowed Glycine 0 N--CA 1.479 1.565 0 C-N-CA 119.095 -1.526 . . . . 0.0 111.035 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.564 ' CG ' ' OD2' ' A' ' 10' ' ' ASP . 8.1 mmtt . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.009 -1.289 . . . . 0.0 112.055 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.635 ' CB ' ' HA2' ' A' ' 12' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--O 1.205 -1.259 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.609 ' HG ' ' CZ ' ' A' ' 22' ' ' PHE . 4.7 tp -45.91 -29.04 1.26 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 106.152 -1.795 . . . . 0.0 106.152 177.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' PHE . 3.2 ttm-85 -68.62 -51.45 42.11 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.676 -1.147 . . . . 0.0 107.933 177.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.693 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -72.83 -29.16 63.0 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.511 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -58.28 -32.31 68.3 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 104.719 -2.326 . . . . 0.0 104.719 176.28 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.609 ' CZ ' ' HG ' ' A' ' 18' ' ' LEU . 14.0 m-30 -92.51 -25.98 18.15 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.693 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -18.55 -77.33 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.509 0 CA-C-O 121.602 0.715 . . . . 0.0 110.712 -179.651 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp -70.82 -36.63 73.03 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.514 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -57.23 -24.95 58.08 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.068 -1.02 . . . . 0.0 109.067 179.742 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.543 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.5 t60 . . . . . 0 C--N 1.304 -1.379 0 O-C-N 121.4 -0.813 . . . . 0.0 110.429 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.35 158.92 28.64 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.277 -0.889 . . . . 0.0 109.652 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' HIS . 30.4 tt0 -97.69 -59.79 1.7 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.268 -0.895 . . . . 0.0 109.47 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.559 ' O ' ' N ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -42.78 -27.68 0.19 Allowed 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.364 -0.835 . . . . 0.0 110.023 -179.761 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -45.65 167.54 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.405 179.63 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 70.81 -63.32 0.42 Allowed 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 -178.404 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 6' ' ' GLN . 10.8 tp -75.24 -30.71 60.59 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.559 ' N ' ' O ' ' A' ' 5' ' ' HIS . 6.6 t-80 -59.29 -34.44 72.28 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.137 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.599 ' O ' ' N ' ' A' ' 12' ' ' GLY . 5.1 t0 26.87 -89.04 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.239 0 CA-C-O 120.774 0.321 . . . . 0.0 111.555 178.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 1.009 ' HG2' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -40.69 89.83 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . 145.52 -31.89 1.64 Allowed Glycine 0 N--CA 1.481 1.66 0 N-CA-C 106.381 -2.687 . . . . 0.0 106.381 -178.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' O ' ' OD2' ' A' ' 17' ' ' ASP . 0.2 OUTLIER . . . . . 0 CA--C 1.479 -1.788 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 176.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.569 ' CB ' ' NH2' ' A' ' 21' ' ' ARG . 7.7 m-20 . . . . . 0 N--CA 1.483 1.196 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 1.009 HD22 ' HG2' ' A' ' 11' ' ' LYS . 14.0 tp -46.89 -28.24 1.52 Allowed 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 177.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -65.89 -55.31 17.64 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 177.64 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.657 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 5.8 ptp180 -61.28 -14.0 23.14 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.585 -0.846 . . . . 0.0 108.875 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.569 ' NH2' ' CB ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -73.37 -31.01 63.67 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 104.967 -2.234 . . . . 0.0 104.967 176.134 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.539 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 20.4 m-85 -94.28 -22.97 18.04 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.405 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.657 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -22.35 -78.21 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.323 0 CA-C-O 121.678 0.751 . . . . 0.0 110.393 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -41.99 88.21 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -50.54 -35.86 31.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.218 -0.927 . . . . 0.0 109.419 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.5 t60 . . . . . 0 C--N 1.305 -1.368 0 O-C-N 121.187 -0.946 . . . . 0.0 110.281 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 121.266 0.555 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.462 ' OG ' ' HG3' ' A' ' 6' ' ' GLN . 38.4 p -54.52 117.52 3.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.366 -0.834 . . . . 0.0 109.575 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.468 ' O ' ' O ' ' A' ' 5' ' ' HIS . 13.3 tt0 -57.61 -71.47 0.1 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.403 -0.81 . . . . 0.0 109.711 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.517 ' O ' ' O ' ' A' ' 6' ' ' GLN . 2.6 m-70 -42.24 -95.61 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.46 -0.775 . . . . 0.0 110.767 -179.481 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.793 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER 42.22 -160.08 0.01 OUTLIER 'General case' 0 C--O 1.205 -1.265 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -177.813 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 6' ' ' GLN . 1.8 mt 39.49 -79.5 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.068 0 CA-C-N 119.342 0.974 . . . . 0.0 109.647 178.934 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.793 ' N ' ' O ' ' A' ' 6' ' ' GLN . 2.3 tp -64.6 -42.33 95.64 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.757 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.704 ' CD2' ' HB2' ' A' ' 11' ' ' LYS . 22.7 t60 -79.25 4.62 14.5 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.013 179.545 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.542 ' C ' ' O ' ' A' ' 9' ' ' HIS . 5.3 t0 20.48 55.14 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.811 0.815 . . . . 0.0 111.419 178.88 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.704 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 1.4 tttt -62.02 -34.19 75.75 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.8 -1.187 . . . . 0.0 109.141 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.649 ' CA ' HD23 ' A' ' 18' ' ' LEU . . . -169.42 37.41 0.2 Allowed Glycine 0 N--CA 1.48 1.568 0 N-CA-C 106.902 -2.479 . . . . 0.0 106.902 179.75 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER . . . . . 0 CA--C 1.479 -1.761 0 O-C-N 122.147 -0.619 . . . . 0.0 110.328 179.456 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.511 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 1.1 m-20 . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.649 HD23 ' CA ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -48.2 -27.18 2.28 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 177.355 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -70.12 -48.26 58.28 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 177.55 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.643 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -62.21 -16.72 55.08 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.554 -0.858 . . . . 0.0 109.157 -179.8 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -72.4 -29.93 64.19 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 176.732 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.533 ' O ' ' C ' ' A' ' 23' ' ' PHE . 33.7 m-85 -96.02 -21.59 17.9 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.453 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.643 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -22.65 -75.74 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.377 0 CA-C-O 121.621 0.724 . . . . 0.0 109.939 179.727 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -66.13 -42.65 88.85 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.862 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.502 ' HB2' ' HA ' ' A' ' 22' ' ' PHE . 1.7 t60 -45.28 -38.93 6.04 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.243 -0.91 . . . . 0.0 108.709 179.283 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' PHE . 4.4 t60 . . . . . 0 C--N 1.306 -1.31 0 O-C-N 121.478 -0.764 . . . . 0.0 110.544 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 121.16 0.505 . . . . 0.0 109.674 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 6.5 t -141.36 147.87 38.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.633 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -74.77 -60.68 2.17 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.258 -0.901 . . . . 0.0 109.455 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.501 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -51.15 -19.33 1.12 Allowed 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.388 -0.82 . . . . 0.0 110.12 -179.895 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER -49.56 175.21 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.785 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 6' ' ' GLN . 2.6 mt 68.48 -68.71 0.17 Allowed 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -178.427 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 8' ' ' LEU . 7.2 tp -66.99 -30.15 70.19 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 176.603 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.626 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 10.1 t-160 -97.13 39.3 1.19 Allowed 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.633 179.473 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' A' ' 12' ' ' GLY . 2.9 t70 -28.69 93.06 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.714 -0.616 . . . . 0.0 110.552 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' HIS . 1.9 tmtp? -50.07 88.86 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.449 -0.782 . . . . 0.0 109.599 -179.732 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.56 ' O ' ' C ' ' A' ' 13' ' ' LYS . . . 147.24 -93.11 0.15 Allowed Glycine 0 N--CA 1.48 1.609 0 N-CA-C 107.308 -2.317 . . . . 0.0 107.308 -179.478 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.56 ' C ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER . . . . . 0 CA--C 1.478 -1.813 0 CA-C-N 118.002 0.901 . . . . 0.0 109.095 178.333 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 1.7 m-20 . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.65 HD22 ' NE ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -43.82 -31.64 0.89 Allowed 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 105.976 -1.861 . . . . 0.0 105.976 177.438 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -65.94 -63.25 1.13 Allowed 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 176.481 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.732 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 3.3 tmm_? -55.21 -37.45 67.14 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.892 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.65 ' NE ' HD22 ' A' ' 18' ' ' LEU . 2.9 mtm-85 -51.19 -32.84 25.02 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 105.507 -2.034 . . . . 0.0 105.507 176.801 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.59 ' O ' ' N ' ' A' ' 26' ' ' HIS . 22.1 m-85 -89.95 -29.67 18.34 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 176.509 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.732 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -11.19 -74.85 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.474 0 CA-C-O 121.569 0.7 . . . . 0.0 110.957 -179.254 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.74 -41.04 54.43 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.415 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.572 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -56.56 -27.61 58.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.168 -0.958 . . . . 0.0 109.115 179.31 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.59 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.8 t60 . . . . . 0 C--N 1.307 -1.279 0 O-C-N 121.261 -0.899 . . . . 0.0 110.373 -179.719 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 121.284 0.564 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -144.73 163.99 32.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.271 -0.893 . . . . 0.0 109.595 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.7 tp10 -88.71 -69.94 0.68 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.267 -0.896 . . . . 0.0 109.256 179.86 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.503 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 5.3 m-70 -42.97 -46.69 5.53 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.339 -0.851 . . . . 0.0 109.763 -179.878 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.525 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -45.72 161.09 0.05 OUTLIER 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.101 -0.999 . . . . 0.0 108.527 179.443 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.525 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.4 OUTLIER 75.88 -50.8 0.62 Allowed 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.226 -0.921 . . . . 0.0 109.667 -179.663 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 8' ' ' LEU . 4.1 tp -59.05 -38.41 79.29 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 120.783 -1.198 . . . . 0.0 109.123 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.515 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 11.8 m170 -72.24 -69.44 0.4 Allowed 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.778 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 9' ' ' HIS . 2.7 t0 29.18 87.33 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.539 176.245 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -43.53 102.7 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.234 -0.916 . . . . 0.0 109.716 -179.689 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.23 -36.93 0.81 Allowed Glycine 0 N--CA 1.488 2.161 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' CG ' ' OD2' ' A' ' 10' ' ' ASP . 8.9 mmtt . . . . . 0 C--N 1.304 -1.374 0 O-C-N 121.529 -0.983 . . . . 0.0 110.087 179.67 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.527 ' OD1' ' CD ' ' A' ' 20' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.616 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 2.1 tp -47.82 -28.89 2.8 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 176.791 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.53 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -70.5 -52.01 24.94 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 177.595 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.675 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 8.3 ptm180 -66.82 -27.25 67.41 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.295 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -57.84 -31.55 66.76 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 104.981 -2.229 . . . . 0.0 104.981 176.358 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.616 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 20.5 m-85 -95.41 -25.33 16.31 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.801 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.675 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -21.55 -70.56 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.653 0 CA-C-O 121.518 0.675 . . . . 0.0 110.331 -179.534 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.0 mt -72.6 -40.49 66.51 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.151 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.8 t60 -49.92 -43.43 49.75 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.287 -0.883 . . . . 0.0 108.83 179.248 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.5 t60 . . . . . 0 C--N 1.307 -1.265 0 O-C-N 121.347 -0.846 . . . . 0.0 109.875 179.628 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 3' ' ' SER . 7.3 p . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 121.197 0.523 . . . . 0.0 109.827 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.466 ' N ' HG13 ' A' ' 2' ' ' VAL . 15.2 t -119.28 162.81 18.1 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.147 -0.971 . . . . 0.0 109.699 -179.755 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 5' ' ' HIS . 18.0 tp10 -83.98 -71.01 0.53 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.291 -0.881 . . . . 0.0 109.373 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.466 ' O ' ' O ' ' A' ' 6' ' ' GLN . 1.5 m-70 -42.01 -28.39 0.17 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.379 -0.825 . . . . 0.0 109.539 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -46.82 167.35 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.917 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.507 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 0.2 OUTLIER 67.87 -69.52 0.14 Allowed 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 -178.388 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 6' ' ' GLN . 10.8 tp -56.1 -45.29 79.47 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 176.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.568 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 1.9 t-80 -45.11 -78.59 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.969 178.373 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 12' ' ' GLY . 8.4 t0 -82.87 -68.36 0.71 Allowed 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.642 -0.662 . . . . 0.0 110.38 -179.243 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.507 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . 2.9 tmtp? -47.63 88.42 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.593 -0.692 . . . . 0.0 109.25 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . 144.46 -32.9 1.71 Allowed Glycine 0 N--CA 1.484 1.885 0 N-CA-C 108.615 -1.794 . . . . 0.0 108.615 -179.475 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 47.1 mmtt . . . . . 0 CA--C 1.487 -1.474 0 O-C-N 121.312 -1.111 . . . . 0.0 108.648 178.699 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.491 ' OD2' ' NE ' ' A' ' 20' ' ' ARG . 7.4 t70 . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' ASP . 15.9 tp -49.06 -26.72 2.81 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 177.373 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -70.76 -49.06 50.77 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.645 177.892 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.672 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 1.0 OUTLIER -58.68 -34.72 71.58 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 119.107 -1.037 . . . . 0.0 109.194 -179.36 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.548 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 1.6 mpp_? -56.54 -27.44 57.64 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 176.658 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.602 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 20.2 m-85 -96.12 -24.87 16.1 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.063 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.672 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -24.9 -82.62 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.465 0 CA-C-O 121.917 0.865 . . . . 0.0 110.071 -179.375 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -52.68 -38.69 60.95 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.702 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.563 ' HB2' ' HA ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -43.03 -43.62 4.36 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.376 -0.93 . . . . 0.0 109.24 179.816 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.602 ' CE1' ' HB3' ' A' ' 22' ' ' PHE . 11.8 m-70 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 122.197 0.999 . . . . 0.0 109.419 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.404 HG22 ' N ' ' A' ' 3' ' ' SER . 12.5 p . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 121.29 0.567 . . . . 0.0 109.711 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.404 ' N ' HG22 ' A' ' 2' ' ' VAL . 28.9 t -50.87 153.52 1.75 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.309 -0.869 . . . . 0.0 109.556 -179.875 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -85.23 -30.91 23.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.363 -0.836 . . . . 0.0 109.719 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.464 ' O ' ' O ' ' A' ' 6' ' ' GLN . 3.4 t-80 -43.88 -35.28 1.9 Allowed 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.181 -0.95 . . . . 0.0 109.985 -179.575 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -45.65 164.79 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.443 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 0.3 OUTLIER 67.71 -68.18 0.17 Allowed 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 -177.936 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' A' ' 6' ' ' GLN . 6.1 tp -54.92 -45.7 74.8 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 105.466 -2.05 . . . . 0.0 105.466 176.529 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.634 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 1.0 OUTLIER -41.45 -82.64 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.006 178.386 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.634 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 24.9 t70 -81.09 -110.98 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.535 -0.728 . . . . 0.0 109.642 -179.409 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 35.52 31.28 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.395 -0.816 . . . . 0.0 110.503 179.751 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . -148.65 -36.57 0.04 OUTLIER Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 12' ' ' GLY . 4.7 mmtm . . . . . 0 C--N 1.306 -1.304 0 O-C-N 121.313 -1.11 . . . . 0.0 110.399 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' C ' ' N ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.21 -0.982 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.623 ' C ' HD12 ' A' ' 18' ' ' LEU . 1.1 pp -50.76 -26.69 5.94 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 105.712 -1.958 . . . . 0.0 105.712 177.704 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -72.47 -50.59 25.01 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.633 -1.167 . . . . 0.0 108.329 178.17 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.708 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 7.9 ptm180 -71.71 -33.12 68.49 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.239 -0.984 . . . . 0.0 108.452 179.765 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.402 ' HE ' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -53.52 -28.66 32.46 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 104.951 -2.24 . . . . 0.0 104.951 175.857 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.548 ' O ' ' C ' ' A' ' 23' ' ' PHE . 10.1 m-30 -95.51 -29.56 14.31 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.991 177.759 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.708 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -23.54 -83.55 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.419 0 CA-C-O 121.509 0.671 . . . . 0.0 110.538 -179.34 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.66 -45.61 77.67 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.494 -0.754 . . . . 0.0 109.192 179.841 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.497 ' HB2' ' HA ' ' A' ' 22' ' ' PHE . 1.2 m170 -50.35 -54.68 19.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.976 -1.077 . . . . 0.0 109.045 179.78 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 22' ' ' PHE . 2.5 t60 . . . . . 0 C--N 1.303 -1.436 0 O-C-N 121.178 -0.951 . . . . 0.0 108.768 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 3' ' ' SER . 10.5 p . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 121.284 0.564 . . . . 0.0 109.674 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 6' ' ' GLN . 35.5 t -67.15 148.87 51.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.346 -0.846 . . . . 0.0 109.363 179.86 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' HIS . 5.5 tt0 -86.44 -74.0 0.44 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.215 -0.928 . . . . 0.0 109.668 -179.873 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.489 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -43.5 -31.54 0.73 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.398 -0.814 . . . . 0.0 109.858 -179.575 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -47.23 169.78 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.206 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.509 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER 72.95 -63.84 0.42 Allowed 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -178.269 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 6' ' ' GLN . 13.3 tp -76.26 -38.26 56.5 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 177.667 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.542 ' O ' ' C ' ' A' ' 10' ' ' ASP . 4.4 t60 -55.5 -18.98 8.3 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.02 -179.827 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.542 ' C ' ' O ' ' A' ' 9' ' ' HIS . 6.2 t0 15.81 108.28 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.407 0.622 . . . . 0.0 112.339 178.789 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.38 10.66 0.74 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.1 -1.0 . . . . 0.0 111.274 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . -107.06 -9.8 29.22 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 179.369 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.472 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 57.6 mmtt . . . . . 0 C--N 1.305 -1.326 0 O-C-N 121.496 -1.002 . . . . 0.0 110.46 -179.854 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.511 ' HB3' ' NH2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.839 HD12 ' CZ ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -48.4 -29.31 3.9 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 177.547 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.5 ttm-85 -64.29 -52.04 60.53 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.82 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.687 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -68.49 -31.82 71.36 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.886 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.665 ' NE ' HD22 ' A' ' 18' ' ' LEU . 2.0 mtm-85 -53.95 -30.55 47.21 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.094 -2.187 . . . . 0.0 105.094 176.184 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.839 ' CZ ' HD12 ' A' ' 18' ' ' LEU . 21.4 m-85 -92.85 -30.18 15.57 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.212 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.687 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -15.09 -74.14 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.534 0 CA-C-O 121.641 0.734 . . . . 0.0 111.052 -179.62 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.45 ' HA ' HD13 ' A' ' 24' ' ' LEU . 4.1 mm? -72.68 -40.13 66.52 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.537 -0.727 . . . . 0.0 109.166 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.547 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -57.68 -36.42 71.91 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.14 -0.975 . . . . 0.0 109.108 179.537 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.558 ' N ' ' O ' ' A' ' 22' ' ' PHE . 4.0 t60 . . . . . 0 C--N 1.306 -1.29 0 O-C-N 121.366 -0.834 . . . . 0.0 109.793 179.492 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.472 ' O ' ' O ' ' A' ' 3' ' ' SER . 9.3 p . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.472 ' O ' ' O ' ' A' ' 2' ' ' VAL . 10.6 p 37.88 93.88 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.63 -0.668 . . . . 0.0 110.311 179.643 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' SER . 30.8 tt0 -42.55 -41.79 3.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.216 -0.928 . . . . 0.0 109.686 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.504 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -45.45 -23.51 0.22 Allowed 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.274 -0.891 . . . . 0.0 110.11 -179.42 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 8' ' ' LEU . 2.1 mm-40 -49.77 175.38 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 178.808 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.508 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 70.19 -70.05 0.16 Allowed 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 -178.069 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 8' ' ' LEU . 1.2 tp -66.77 -40.04 88.08 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 105.699 -1.963 . . . . 0.0 105.699 176.508 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.616 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 10.0 t-160 -91.03 37.37 0.93 Allowed 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.413 178.802 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.485 ' OD1' ' HG2' ' A' ' 13' ' ' LYS . 6.3 t70 -34.43 94.05 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.57 -0.706 . . . . 0.0 110.626 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 9' ' ' HIS . 12.5 tptp -66.7 99.97 0.65 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.171 -0.956 . . . . 0.0 109.415 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 152.12 -30.74 0.89 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.898 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.485 ' HG2' ' OD1' ' A' ' 10' ' ' ASP . 8.5 mmtt . . . . . 0 C--N 1.304 -1.393 0 O-C-N 121.375 -1.073 . . . . 0.0 110.373 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.578 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -49.68 -27.84 5.22 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 177.702 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.6 ttm-85 -63.77 -62.27 1.76 Allowed 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 177.955 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.687 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -59.89 -28.62 67.71 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 178.772 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.461 ' HB2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -56.3 -31.75 63.95 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 104.86 -2.274 . . . . 0.0 104.86 176.08 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.578 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 22.7 m-85 -91.82 -26.04 18.71 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 176.925 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.687 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -20.1 -71.13 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.428 0 CA-C-O 121.752 0.787 . . . . 0.0 110.057 -179.44 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.2 -44.97 74.65 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.088 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 22' ' ' PHE . 3.3 t-160 -47.74 -45.83 29.37 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.096 -1.003 . . . . 0.0 108.356 179.125 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.6 t60 . . . . . 0 C--N 1.306 -1.295 0 O-C-N 121.463 -0.773 . . . . 0.0 109.608 179.359 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 121.364 0.602 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.454 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -142.77 171.62 13.81 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.337 -0.852 . . . . 0.0 109.164 179.937 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.09 -42.12 63.35 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.112 -0.993 . . . . 0.0 109.201 179.877 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 9' ' ' HIS . 1.6 m-70 -52.48 -19.03 1.95 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.321 -0.862 . . . . 0.0 109.939 -179.909 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -47.32 170.4 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 179.016 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.467 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER 69.32 -68.62 0.18 Allowed 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 -177.982 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.802 HD12 ' O ' ' A' ' 8' ' ' LEU . 1.4 tp -64.73 -32.81 74.65 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 105.488 -2.041 . . . . 0.0 105.488 176.321 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.636 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 9.9 t-160 -90.61 35.49 0.88 Allowed 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.5 179.249 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.541 ' C ' ' O ' ' A' ' 9' ' ' HIS . 21.6 t0 -25.81 124.46 0.06 Allowed 'General case' 0 N--CA 1.499 2.017 0 CA-C-O 121.231 0.538 . . . . 0.0 110.728 179.714 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.84 13.78 2.49 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.212 -0.93 . . . . 0.0 110.538 -179.332 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . -108.47 -15.97 12.85 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 179.761 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 12' ' ' GLY . 15.3 mmtp . . . . . 0 C--N 1.305 -1.341 0 O-C-N 121.462 -1.022 . . . . 0.0 110.26 -179.876 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.526 ' HA ' ' HB2' ' A' ' 20' ' ' ARG . 19.9 t0 . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.621 HD22 ' HE ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -52.57 -23.33 6.19 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 104.964 -2.235 . . . . 0.0 104.964 175.712 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -90.94 -63.01 1.33 Allowed 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.398 -1.274 . . . . 0.0 108.191 178.212 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.693 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -50.39 -23.12 2.18 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -179.864 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.621 ' HE ' HD22 ' A' ' 18' ' ' LEU . 6.7 mtm-85 -61.61 -44.06 97.7 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 105.18 -2.155 . . . . 0.0 105.18 177.185 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.577 ' HA ' ' HB2' ' A' ' 25' ' ' HIS . 46.8 m-85 -82.92 -19.58 37.02 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 177.495 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.693 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -27.07 -70.53 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.293 0 CA-C-O 121.504 0.669 . . . . 0.0 110.679 -179.193 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.525 ' HA ' HD13 ' A' ' 24' ' ' LEU . 3.1 mm? -69.77 -40.69 75.91 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.556 -0.715 . . . . 0.0 109.599 -179.773 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.577 ' HB2' ' HA ' ' A' ' 22' ' ' PHE . 7.8 m-70 -56.39 -42.78 78.48 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.116 -0.99 . . . . 0.0 109.31 -179.906 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.1 t60 . . . . . 0 C--N 1.306 -1.291 0 O-C-N 121.111 -0.993 . . . . 0.0 109.657 179.898 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 2' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 121.449 0.643 . . . . 0.0 109.667 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 3.3 t -51.81 161.51 0.54 Allowed 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.425 -0.797 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -51.04 -37.65 46.68 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.16 -0.963 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -49.51 -26.42 3.42 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.418 -0.801 . . . . 0.0 110.207 -179.568 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -47.56 172.65 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.377 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 69.33 -62.84 0.4 Allowed 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 -178.464 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 6' ' ' GLN . 19.1 tp -77.61 -33.18 53.8 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 177.533 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.553 ' N ' ' O ' ' A' ' 5' ' ' HIS . 8.6 t-80 -75.62 -4.81 42.18 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.517 ' C ' ' O ' ' A' ' 9' ' ' HIS . 5.9 t0 24.12 -88.77 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.146 0.498 . . . . 0.0 111.77 178.77 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 9' ' ' HIS . 1.1 tptm 36.22 30.35 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.589 -0.694 . . . . 0.0 110.697 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . -143.04 -37.32 0.08 OUTLIER Glycine 0 N--CA 1.489 2.17 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 179.244 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.462 ' HG2' ' OD1' ' A' ' 10' ' ' ASP . 29.6 mmtt . . . . . 0 C--N 1.304 -1.379 0 O-C-N 121.397 -1.061 . . . . 0.0 110.797 -179.704 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.548 ' O ' ' N ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.796 HD11 ' CZ ' ' A' ' 22' ' ' PHE . 12.8 tp -48.3 -28.71 3.28 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 177.11 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.9 OUTLIER -70.19 -50.93 35.15 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 177.623 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.599 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -73.46 -4.83 36.16 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 178.171 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 17' ' ' ASP . 2.5 mtt-85 -82.48 -36.36 26.55 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 104.255 -2.498 . . . . 0.0 104.255 176.468 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.796 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 20.2 m-85 -86.42 -22.69 26.4 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 176.299 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.599 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -19.43 -75.72 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 CA-C-O 121.512 0.672 . . . . 0.0 110.682 179.88 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.72 -35.14 67.51 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.21 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 22' ' ' PHE . 4.4 t60 -55.59 -37.26 67.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.326 -0.859 . . . . 0.0 109.255 179.657 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.1 t60 . . . . . 0 C--N 1.306 -1.314 0 O-C-N 121.334 -0.854 . . . . 0.0 110.187 -179.856 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 3' ' ' SER . 2.9 p . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 121.173 0.511 . . . . 0.0 109.663 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.487 ' OG ' ' N ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -87.2 -172.33 3.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.218 -0.926 . . . . 0.0 109.407 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.487 ' N ' ' OG ' ' A' ' 3' ' ' SER . 1.4 tt0 -100.15 -62.5 1.23 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.3 -0.875 . . . . 0.0 109.839 -179.758 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.464 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -61.73 -9.87 7.42 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.369 -0.832 . . . . 0.0 110.633 -179.229 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.04 20.14 1.96 Allowed 'General case' 0 C--N 1.306 -1.289 0 O-C-N 120.946 -1.096 . . . . 0.0 110.446 -179.847 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.5 -68.46 0.8 Allowed 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 178.625 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.0 tp -62.68 -44.11 97.09 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 178.05 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.52 ' O ' ' C ' ' A' ' 10' ' ' ASP . 3.7 t-80 -52.71 -52.62 55.41 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.823 -0.548 . . . . 0.0 110.131 -179.785 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.549 ' O ' ' N ' ' A' ' 12' ' ' GLY . 19.2 t0 28.79 -99.94 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.147 0 O-C-N 121.943 -0.473 . . . . 0.0 111.013 179.251 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER 33.54 32.26 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.621 -0.675 . . . . 0.0 110.473 179.574 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . -142.16 -33.89 0.11 Allowed Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.763 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.487 ' O ' ' O ' ' A' ' 12' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--N 1.306 -1.289 0 O-C-N 121.365 -1.079 . . . . 0.0 109.956 179.881 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.519 ' O ' ' N ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.618 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 3.4 tp -50.04 -27.5 5.64 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 176.837 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.5 ttm-85 -71.43 -57.69 4.21 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 177.532 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.637 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -64.44 -11.94 38.45 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 179.356 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -74.71 -33.93 62.49 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 104.586 -2.376 . . . . 0.0 104.586 176.146 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.618 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 23.7 m-85 -90.94 -22.69 20.73 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 176.813 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.637 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -20.61 -69.97 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.427 0 CA-C-O 121.69 0.757 . . . . 0.0 110.578 179.903 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mt -76.75 -33.97 58.08 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.557 -0.715 . . . . 0.0 109.287 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -69.1 -13.71 62.59 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.126 -0.984 . . . . 0.0 110.368 -179.761 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.57 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.307 -1.255 0 O-C-N 120.971 -1.08 . . . . 0.0 111.265 -178.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.324 0.583 . . . . 0.0 109.538 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.453 HG22 ' N ' ' A' ' 3' ' ' SER . 2.6 p -43.58 157.05 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.145 -0.972 . . . . 0.0 109.641 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.453 ' N ' HG22 ' A' ' 2' ' ' VAL . 1.3 p -105.25 -173.72 2.37 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.215 -0.928 . . . . 0.0 109.384 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -81.87 -68.67 0.68 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.253 -0.905 . . . . 0.0 109.409 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -46.77 -28.3 1.49 Allowed 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.316 -0.865 . . . . 0.0 109.933 -179.808 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -48.9 172.52 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 178.854 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.452 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER 69.16 -69.88 0.15 Allowed 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 106.43 -1.693 . . . . 0.0 106.43 -177.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 8' ' ' LEU . 1.9 tp -64.01 -32.8 74.47 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 176.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.616 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 11.9 t-80 -98.69 45.21 1.01 Allowed 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.6 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.55 ' O ' ' N ' ' A' ' 12' ' ' GLY . 8.7 t0 -25.77 -47.11 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.931 -0.481 . . . . 0.0 110.965 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 9' ' ' HIS . 2.3 mmtm -43.92 93.41 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.438 -0.789 . . . . 0.0 109.134 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . 151.11 -36.16 0.89 Allowed Glycine 0 N--CA 1.487 2.058 0 N-CA-C 108.809 -1.716 . . . . 0.0 108.809 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.864 ' HB2' HD11 ' A' ' 15' ' ' ILE . 12.6 mmtt -57.09 -161.87 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 O-C-N 121.296 -1.12 . . . . 0.0 109.919 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.848 ' C ' HD13 ' A' ' 15' ' ' ILE . 1.5 m -69.37 58.62 0.12 Allowed 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 122.509 1.147 . . . . 0.0 110.6 -178.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.864 HD11 ' HB2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -114.56 -47.54 4.89 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 N-CA-C 102.577 -3.12 . . . . 0.0 102.577 177.236 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.495 ' HA ' ' NH2' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -63.4 -29.89 71.11 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 104.195 -2.52 . . . . 0.0 104.195 173.805 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -87.6 -43.18 12.17 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 115.419 -0.809 . . . . 0.0 108.868 178.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.759 HD23 ' O ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -49.59 -27.53 4.63 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 177.65 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -66.83 -49.16 66.65 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.188 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.635 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -65.68 -11.86 48.65 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.763 0.792 . . . . 0.0 109.049 179.67 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -31.61 53.89 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 176.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.556 ' O ' ' N ' ' A' ' 26' ' ' HIS . 25.4 m-85 -92.46 -22.78 19.41 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 177.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.635 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -18.67 -75.94 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.441 0 CA-C-O 121.537 0.684 . . . . 0.0 110.677 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 24' ' ' LEU . 3.6 mp -73.32 -35.28 66.03 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.934 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 5.2 t60 -56.46 -31.97 64.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.903 . . . . 0.0 109.141 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.7 t60 -79.17 -55.78 4.85 Favored 'General case' 0 C--N 1.307 -1.258 0 O-C-N 121.321 -0.862 . . . . 0.0 110.285 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.2 mt -72.34 -6.71 45.22 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.392 -0.817 . . . . 0.0 109.715 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.708 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 31.5 mm -147.94 57.18 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.276 -0.89 . . . . 0.0 109.614 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.934 ' HB3' ' O ' ' A' ' 25' ' ' HIS . . . 162.35 93.75 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.287 -0.883 . . . . 0.0 109.53 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.516 ' C ' HD13 ' A' ' 31' ' ' ILE . 1.7 pt-20 172.61 106.24 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.215 -0.928 . . . . 0.0 109.823 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.516 HD13 ' C ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -124.75 109.02 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.257 -0.902 . . . . 0.0 109.177 179.715 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 33' ' ' THR . 0.5 OUTLIER -59.55 89.19 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.277 -0.889 . . . . 0.0 109.775 -179.719 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 32' ' ' HIS . 0.0 OUTLIER 42.96 55.67 4.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.347 -0.845 . . . . 0.0 109.54 179.821 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.406 -179.899 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 1' ' ' ALA . 6.4 p -42.15 150.96 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.38 -0.825 . . . . 0.0 109.505 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 p -49.63 138.43 14.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.219 -0.925 . . . . 0.0 109.458 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.1 tt0 -85.06 -39.4 18.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.31 -0.869 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.477 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -43.49 -39.21 3.23 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.456 -0.778 . . . . 0.0 109.758 -179.686 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -45.43 159.45 0.06 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.166 -0.959 . . . . 0.0 108.619 179.493 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.533 HD23 ' HE2' ' A' ' 13' ' ' LYS . 0.4 OUTLIER 75.3 -50.02 0.64 Allowed 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.14 -0.975 . . . . 0.0 109.691 -179.555 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 8' ' ' LEU . 14.3 tp -64.44 -8.9 15.15 Favored 'General case' 0 C--N 1.309 -1.154 0 O-C-N 120.949 -1.094 . . . . 0.0 109.985 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.549 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 10.2 m170 -78.5 -38.41 40.84 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 122.958 1.361 . . . . 0.0 107.715 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.482 ' HB3' ' O ' ' A' ' 7' ' ' LEU . 1.6 t70 -37.25 93.17 0.01 OUTLIER 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.577 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -48.2 110.52 0.34 Allowed 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.066 -1.021 . . . . 0.0 108.973 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.474 ' HA2' ' CB ' ' A' ' 16' ' ' GLN . . . 148.27 -35.93 1.13 Allowed Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.467 -1.853 . . . . 0.0 108.467 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.533 ' HE2' HD23 ' A' ' 7' ' ' LEU . 6.5 mmtt -55.21 -166.5 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.51 -0.994 . . . . 0.0 109.389 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.13 64.88 0.56 Allowed 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 123.12 1.438 . . . . 0.0 109.969 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.86 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -147.44 -51.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.281 -2.388 0 N-CA-C 102.632 -3.099 . . . . 0.0 102.632 178.537 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.86 ' H ' HD12 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -55.08 -28.99 56.55 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 173.648 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -99.31 -36.12 9.72 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 114.576 -1.193 . . . . 0.0 107.878 179.414 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.603 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 14.0 tp -49.76 -27.66 5.2 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 177.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -70.4 -43.58 69.73 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 177.565 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.676 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -77.66 -23.46 49.65 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.274 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.46 ' HB2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -62.26 -30.43 71.11 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 104.375 -2.454 . . . . 0.0 104.375 175.732 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.603 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 21.6 m-85 -92.17 -28.65 16.93 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 177.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.676 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -22.62 -73.97 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.412 0 CA-C-O 121.602 0.715 . . . . 0.0 110.562 -179.397 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.45 -38.93 88.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.506 -0.747 . . . . 0.0 109.199 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.511 ' HB2' ' HA ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -55.36 -45.2 76.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.251 -0.905 . . . . 0.0 109.451 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -59.45 -41.46 89.73 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.135 -0.978 . . . . 0.0 110.527 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' A' ' 27' ' ' LEU . 57.4 mt -73.76 1.12 11.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.243 -0.911 . . . . 0.0 110.51 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.505 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 3.9 tp -129.72 -29.6 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.936 -1.103 . . . . 0.0 110.035 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 28' ' ' ILE . . . 175.08 150.84 0.1 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.192 -0.942 . . . . 0.0 109.161 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.18 163.58 28.22 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.2 -0.937 . . . . 0.0 109.818 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.563 ' O ' HD12 ' A' ' 31' ' ' ILE . 1.5 pp -118.58 95.06 3.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 121.589 -0.694 . . . . 0.0 109.447 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 31' ' ' ILE . 0.1 OUTLIER -38.49 107.17 0.06 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.595 -0.691 . . . . 0.0 110.179 -179.637 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.02 82.79 1.73 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.289 -0.882 . . . . 0.0 109.523 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.408 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.345 0.593 . . . . 0.0 109.563 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.593 HG13 ' H ' ' A' ' 3' ' ' SER . 2.1 p -44.71 -54.04 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.327 -0.858 . . . . 0.0 109.842 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.593 ' H ' HG13 ' A' ' 2' ' ' VAL . 12.4 t -116.84 167.16 11.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.187 -0.946 . . . . 0.0 109.686 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -92.45 -53.77 4.07 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.352 -0.843 . . . . 0.0 109.446 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.489 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.9 OUTLIER -45.26 -53.43 8.37 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.467 -0.771 . . . . 0.0 109.965 -179.553 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -45.32 162.37 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.498 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.517 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.4 OUTLIER 76.83 -49.39 0.55 Allowed 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.148 -0.97 . . . . 0.0 109.431 -179.335 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.726 HD12 ' O ' ' A' ' 8' ' ' LEU . 5.0 tp -63.99 -37.78 88.69 Favored 'General case' 0 C--N 1.313 -1.005 0 O-C-N 120.804 -1.185 . . . . 0.0 109.46 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.539 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 10.6 m170 -82.94 -35.98 25.56 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 122.993 1.378 . . . . 0.0 107.848 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.603 ' HA ' ' CD ' ' A' ' 13' ' ' LYS . 0.8 OUTLIER -55.37 -20.62 12.43 Favored 'General case' 0 C--N 1.282 -2.356 0 CA-C-N 114.024 -1.444 . . . . 0.0 110.223 179.688 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.61 3.72 10.9 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.281 -0.887 . . . . 0.0 109.449 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -114.14 -1.53 23.67 Favored Glycine 0 N--CA 1.486 1.967 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.626 ' N ' HD11 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -77.14 -156.81 0.08 Allowed 'General case' 0 N--CA 1.483 1.192 0 O-C-N 121.006 -1.291 . . . . 0.0 109.815 179.769 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.843 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -86.04 56.35 3.94 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-O 122.734 1.254 . . . . 0.0 110.286 -179.504 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.817 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -109.59 -49.06 7.05 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.283 0 N-CA-C 102.739 -3.059 . . . . 0.0 102.739 176.269 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.817 ' H ' HD12 ' A' ' 15' ' ' ILE . 3.9 mt-30 -71.42 -24.84 62.11 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 104.457 -2.423 . . . . 0.0 104.457 173.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.528 ' HB2' ' HA ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -91.86 -32.49 15.3 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.682 179.536 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.843 HD23 ' O ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -49.72 -29.44 7.57 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 177.36 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.542 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -64.16 -49.81 70.62 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.348 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.689 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 5.1 ptm180 -67.5 -33.0 74.19 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.587 ' HD2' HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -53.55 -29.21 35.93 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 176.31 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.82 ' CE2' HD12 ' A' ' 18' ' ' LEU . 21.9 m-85 -97.3 -27.3 14.57 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.689 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -21.76 -66.43 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.437 0 CA-C-O 121.483 0.659 . . . . 0.0 110.713 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.508 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 2.0 mp -78.29 -40.67 36.17 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.468 -0.77 . . . . 0.0 109.523 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -58.49 -28.21 65.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.08 -1.013 . . . . 0.0 109.282 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.545 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.0 OUTLIER -71.3 -54.89 9.29 Favored 'General case' 0 C--N 1.307 -1.264 0 O-C-N 121.191 -0.943 . . . . 0.0 109.928 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 27' ' ' LEU . 4.7 mt -81.67 -5.55 58.19 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.413 -0.805 . . . . 0.0 109.92 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.713 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 16.6 mm -98.77 -1.19 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.194 -0.941 . . . . 0.0 109.536 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 28' ' ' ILE . . . 162.6 145.36 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.218 -0.926 . . . . 0.0 109.169 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -140.97 169.87 16.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.164 -0.96 . . . . 0.0 109.829 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' HIS . 1.0 OUTLIER -59.9 114.24 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 CA-C-O 121.73 0.776 . . . . 0.0 108.987 -179.891 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' ILE . 90.0 m-70 -40.88 127.44 2.6 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.279 0.561 . . . . 0.0 109.737 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 m -64.0 139.14 58.74 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.3 -0.875 . . . . 0.0 109.595 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.543 179.794 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 1' ' ' ALA . 7.3 p -42.36 154.28 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.303 -0.873 . . . . 0.0 109.504 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -95.58 135.25 37.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.23 -0.919 . . . . 0.0 109.433 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -54.76 -32.0 59.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.323 -0.861 . . . . 0.0 109.69 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.417 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -58.09 -11.75 2.83 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.384 -0.823 . . . . 0.0 110.655 -179.161 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.2 32.87 0.61 Allowed 'General case' 0 N--CA 1.485 1.284 0 O-C-N 120.914 -1.116 . . . . 0.0 110.148 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.549 HD22 HG23 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -119.77 -69.95 0.82 Allowed 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 179.438 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.93 HD13 ' N ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -56.46 -43.23 79.35 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.079 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.93 ' N ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -44.05 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.525 0.679 . . . . 0.0 109.695 178.391 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.609 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 7.3 t70 -63.55 -14.18 48.7 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.47 -0.768 . . . . 0.0 110.108 -178.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 10' ' ' ASP . 4.0 tmtp? 38.35 28.54 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.498 -0.751 . . . . 0.0 110.417 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . -144.0 11.25 2.09 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.535 ' HG2' ' HB3' ' A' ' 10' ' ' ASP . 5.4 mmtp -101.61 -152.94 0.44 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.382 -1.069 . . . . 0.0 110.078 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.758 ' O ' HD23 ' A' ' 18' ' ' LEU . 2.5 m -70.26 60.88 0.2 Allowed 'General case' 0 C--N 1.289 -2.023 0 C-N-CA 118.51 -1.276 . . . . 0.0 110.732 -178.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.942 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -114.49 -46.2 4.67 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 N-CA-C 103.261 -2.866 . . . . 0.0 103.261 176.565 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.942 ' H ' HD12 ' A' ' 15' ' ' ILE . 2.7 mm-40 -69.67 -26.99 64.65 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 104.312 -2.477 . . . . 0.0 104.312 174.141 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -89.0 -38.68 14.25 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.817 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.758 HD23 ' O ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -49.61 -28.81 6.19 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 105.663 -1.977 . . . . 0.0 105.663 177.018 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -69.1 -58.95 3.39 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.821 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.627 ' HA ' ' CD2' ' A' ' 23' ' ' PHE . 9.1 ptm180 -59.76 -18.59 44.4 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.637 ' HD2' HD22 ' A' ' 18' ' ' LEU . 1.6 mtm-85 -70.65 -31.27 68.13 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 105.458 -2.053 . . . . 0.0 105.458 176.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 23.5 m-85 -95.68 -20.12 19.17 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 177.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.627 ' CD2' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -21.45 -79.59 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.479 0 CA-C-O 121.71 0.767 . . . . 0.0 110.302 -179.134 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.456 ' O ' ' O ' ' A' ' 27' ' ' LEU . 4.8 mp -67.99 -32.74 73.35 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.527 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 1.4 t-80 -57.61 -41.04 80.47 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 118.864 -1.135 . . . . 0.0 109.073 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.4 t60 -81.98 -50.24 9.36 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.239 -0.913 . . . . 0.0 110.079 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 28' ' ' ILE . 6.6 mt -93.88 139.52 30.79 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.34 -0.85 . . . . 0.0 109.687 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.481 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 3.9 mt 75.0 16.38 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.409 -0.807 . . . . 0.0 109.916 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.546 ' O ' ' CB ' ' A' ' 30' ' ' GLU . . . -151.54 41.2 0.69 Allowed 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.167 -0.958 . . . . 0.0 109.4 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.546 ' CB ' ' O ' ' A' ' 29' ' ' ALA . 0.3 OUTLIER 159.94 82.76 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.729 ' H ' HD12 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -119.65 106.58 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.196 -0.94 . . . . 0.0 109.391 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.33 128.68 35.35 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.269 -0.895 . . . . 0.0 109.375 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.9 p -88.77 107.53 19.02 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.177 -0.952 . . . . 0.0 109.582 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.429 179.83 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 1' ' ' ALA . 6.8 p -43.06 148.42 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.308 -0.87 . . . . 0.0 109.81 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -136.55 175.14 9.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.306 -0.871 . . . . 0.0 109.285 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.404 ' N ' ' OG ' ' A' ' 3' ' ' SER . 3.3 tp10 -73.91 -59.57 2.66 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.207 -0.933 . . . . 0.0 109.505 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.486 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.5 OUTLIER -48.57 -25.41 1.71 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.246 -0.909 . . . . 0.0 109.865 -179.714 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -48.66 172.1 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 179.039 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 70.95 -66.96 0.27 Allowed 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 -178.304 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.0 tp -69.38 -34.97 75.32 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 176.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 11.4 t-80 -80.26 5.52 14.45 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.818 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.552 ' O ' ' C ' ' A' ' 11' ' ' LYS . 4.6 t70 21.5 -94.53 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.373 0 O-C-N 122.219 -0.3 . . . . 0.0 111.578 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER 22.9 87.55 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 121.043 0.449 . . . . 0.0 110.892 179.783 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.574 ' O ' ' N ' ' A' ' 14' ' ' SER . . . 136.33 -29.45 2.8 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.607 ' O ' ' O ' ' A' ' 14' ' ' SER . 7.2 mmmt -66.44 62.46 0.04 OUTLIER 'General case' 0 CA--C 1.491 -1.313 0 O-C-N 121.659 -0.907 . . . . 0.0 109.25 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.704 ' O ' ' N ' ' A' ' 16' ' ' GLN . 41.8 p 44.28 96.2 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.58 ' C ' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -25.36 -39.41 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 179.428 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.704 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -30.8 -40.88 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 114.176 -1.375 . . . . 0.0 108.212 173.78 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.611 ' N ' ' O ' ' A' ' 14' ' ' SER . 53.1 m-20 -91.56 -44.36 9.12 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.529 -0.868 . . . . 0.0 109.099 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.573 ' HB3' ' HA ' ' A' ' 15' ' ' ILE . 42.5 tp -48.48 -26.92 2.37 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 177.101 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -71.67 -48.89 44.49 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.457 177.849 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.667 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -63.2 -12.57 29.22 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.21 -0.996 . . . . 0.0 109.044 -179.72 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.04 -33.9 63.9 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 176.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.535 ' O ' ' C ' ' A' ' 23' ' ' PHE . 55.4 m-85 -91.31 -21.83 20.85 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.667 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -23.47 -77.32 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.339 0 CA-C-O 121.64 0.733 . . . . 0.0 110.141 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.805 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -64.48 -38.72 91.99 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.38 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 1.02 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 7.9 t60 -52.67 -40.76 63.18 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.051 -1.03 . . . . 0.0 109.011 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.9 t60 -76.34 -65.31 0.94 Allowed 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.242 -0.911 . . . . 0.0 110.09 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.7 mt -54.61 -40.89 69.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.476 -0.765 . . . . 0.0 110.085 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.805 HD12 ' HB3' ' A' ' 24' ' ' LEU . 73.8 mt -100.73 50.76 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.131 -0.98 . . . . 0.0 109.821 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 1.02 ' HB3' ' O ' ' A' ' 25' ' ' HIS . . . 165.48 86.92 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.332 -0.855 . . . . 0.0 109.47 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -164.66 50.86 0.12 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.218 -0.926 . . . . 0.0 109.528 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 32' ' ' HIS . 5.1 mm -107.11 38.47 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.323 -0.86 . . . . 0.0 109.109 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 31' ' ' ILE . 1.2 m-70 161.98 62.9 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.06 139.14 42.62 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -0.891 . . . . 0.0 109.524 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 117.909 -1.043 . . . . 0.0 109.453 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.445 ' O ' HG12 ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.305 0.574 . . . . 0.0 109.537 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 2' ' ' VAL . 0.4 OUTLIER 49.6 19.44 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.269 -0.894 . . . . 0.0 110.176 179.224 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -51.47 168.2 0.08 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.328 -0.858 . . . . 0.0 109.282 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.588 ' HA ' HD12 ' A' ' 7' ' ' LEU . 1.5 tp10 -72.52 -64.26 0.99 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.233 -0.917 . . . . 0.0 109.608 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -48.62 -20.68 0.48 Allowed 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.35 -0.844 . . . . 0.0 110.279 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.487 ' O ' ' HA ' ' A' ' 10' ' ' ASP . 1.1 mt-30 -84.52 18.29 2.35 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.024 -1.048 . . . . 0.0 110.32 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 4' ' ' GLU . 2.0 mt -94.21 -66.73 0.9 Allowed 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 178.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 8' ' ' LEU . 6.2 tp -62.74 -45.09 94.32 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 177.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.662 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 4.2 t60 -88.2 38.42 0.85 Allowed 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 121.722 0.772 . . . . 0.0 109.245 178.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.493 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 13.4 t70 -40.06 88.98 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.188 -0.945 . . . . 0.0 110.625 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 9' ' ' HIS . 2.5 tptt -53.7 100.46 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.992 -1.068 . . . . 0.0 109.175 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.426 ' CA ' ' OE1' ' A' ' 16' ' ' GLN . . . 155.07 -13.61 0.47 Allowed Glycine 0 N--CA 1.491 2.358 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.314 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.761 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -67.88 -155.2 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.327 0 O-C-N 120.969 -1.312 . . . . 0.0 109.142 179.729 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.911 ' C ' HD13 ' A' ' 15' ' ' ILE . 1.5 m -74.62 54.15 0.59 Allowed 'General case' 0 C--N 1.295 -1.794 0 CA-C-O 122.555 1.169 . . . . 0.0 110.699 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.911 HD13 ' C ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -116.66 -45.79 3.84 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 102.704 -3.072 . . . . 0.0 102.704 177.417 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.585 ' HA ' ' CZ ' ' A' ' 19' ' ' ARG . 7.3 mp0 -64.3 -30.13 71.19 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 104.763 -2.31 . . . . 0.0 104.763 174.136 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.526 ' HB2' ' HA ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -89.63 -38.97 13.54 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.552 HD12 ' HE ' ' A' ' 21' ' ' ARG . 13.5 tp -51.47 -26.77 8.82 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 105.701 -1.962 . . . . 0.0 105.701 177.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.585 ' CZ ' ' HA ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -66.94 -48.09 69.66 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.86 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.661 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -63.47 -33.51 75.72 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.078 -1.049 . . . . 0.0 108.362 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.552 ' HE ' HD12 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -53.33 -29.52 34.33 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 176.555 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.568 ' O ' ' N ' ' A' ' 26' ' ' HIS . 22.5 m-85 -95.2 -28.93 14.79 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 177.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.661 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -20.95 -60.04 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.429 0 CA-C-O 121.685 0.755 . . . . 0.0 110.328 -179.448 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 mt -76.78 -46.02 26.68 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 22' ' ' PHE . 3.6 m-70 -62.52 -14.04 37.39 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.053 -1.029 . . . . 0.0 109.378 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.568 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.8 t60 -82.43 -69.52 0.62 Allowed 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.4 -0.812 . . . . 0.0 110.437 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' HIS . 21.9 mt -43.07 -46.15 5.57 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.684 -0.635 . . . . 0.0 110.033 -179.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.43 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 29.0 mm -71.82 -14.6 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.178 -0.951 . . . . 0.0 109.967 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 26' ' ' HIS . . . 179.58 149.47 0.3 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.181 -0.949 . . . . 0.0 109.607 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -152.28 125.88 8.89 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 0.0 109.592 -179.835 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' GLU . 5.8 mm 44.49 40.89 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.316 -0.865 . . . . 0.0 109.425 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.529 ' O ' ' CG2' ' A' ' 33' ' ' THR . 0.0 OUTLIER 54.85 46.98 23.34 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.668 -0.645 . . . . 0.0 109.3 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.529 ' CG2' ' O ' ' A' ' 32' ' ' HIS . 9.6 t 40.22 48.91 2.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.656 -0.652 . . . . 0.0 109.687 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.421 -179.744 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.584 HG13 ' N ' ' A' ' 3' ' ' SER . 7.1 p -43.81 -48.48 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.176 -0.953 . . . . 0.0 109.521 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.584 ' N ' HG13 ' A' ' 2' ' ' VAL . 86.0 p -74.91 154.51 38.15 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.211 -0.931 . . . . 0.0 109.297 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 5' ' ' HIS . 1.1 tt0 -54.14 -97.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.177 -0.952 . . . . 0.0 109.726 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.561 ' ND1' ' NE2' ' A' ' 9' ' ' HIS . 1.0 OUTLIER -82.82 -28.21 30.35 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.188 -0.945 . . . . 0.0 109.931 -179.546 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.5 ' HB2' ' HB2' ' A' ' 3' ' ' SER . 1.6 mm100 -43.62 163.46 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.298 -0.877 . . . . 0.0 108.788 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 73.11 -52.05 0.71 Allowed 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.986 -1.071 . . . . 0.0 109.434 -179.371 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.483 ' HB3' ' O ' ' A' ' 5' ' ' HIS . 30.1 tp -64.02 -29.84 70.96 Favored 'General case' 0 C--N 1.309 -1.157 0 O-C-N 120.794 -1.191 . . . . 0.0 109.924 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.573 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 10.0 m170 -99.68 -30.7 11.95 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 122.656 1.217 . . . . 0.0 108.011 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -33.26 104.2 0.03 OUTLIER 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 114.406 -1.27 . . . . 0.0 110.958 178.528 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -62.43 111.24 1.94 Allowed 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.129 -0.982 . . . . 0.0 109.678 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 14' ' ' SER . . . 137.21 -18.29 3.51 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.625 ' O ' ' O ' ' A' ' 14' ' ' SER . 1.4 mmtp -68.18 62.01 0.09 Allowed 'General case' 0 CA--C 1.481 -1.698 0 O-C-N 121.811 -0.817 . . . . 0.0 109.621 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.625 ' O ' ' O ' ' A' ' 13' ' ' LYS . 0.7 OUTLIER 45.22 99.01 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 179.764 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.568 ' HA ' ' HB2' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -37.37 -29.62 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 179.015 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.607 ' N ' ' O ' ' A' ' 14' ' ' SER . 39.7 mm-40 -33.82 -40.5 0.08 Allowed 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 172.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -85.47 -50.83 6.96 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 119.671 -0.812 . . . . 0.0 109.497 179.65 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.568 ' HB2' ' HA ' ' A' ' 15' ' ' ILE . 1.6 mm? -46.68 -27.85 1.31 Allowed 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 177.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -66.63 -54.01 27.97 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 177.736 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.64 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 2.7 ptm180 -57.82 -30.66 65.91 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.591 -0.844 . . . . 0.0 109.257 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.461 ' HD2' ' HG ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -58.43 -29.79 66.4 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 105.506 -2.035 . . . . 0.0 105.506 176.652 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.547 ' O ' ' C ' ' A' ' 23' ' ' PHE . 26.8 m-85 -96.51 -23.57 16.49 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.64 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -22.71 -78.74 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.501 0 CA-C-O 121.525 0.678 . . . . 0.0 110.148 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.455 ' O ' HG12 ' A' ' 28' ' ' ILE . 4.8 mp -64.64 -37.47 87.7 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.511 -0.743 . . . . 0.0 109.061 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 22' ' ' PHE . 2.1 t-160 -54.76 -43.36 72.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.143 -0.973 . . . . 0.0 109.209 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 22' ' ' PHE . 2.0 t60 -63.63 -69.18 0.29 Allowed 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.37 -0.832 . . . . 0.0 110.038 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.7 mt -47.71 -27.07 1.78 Allowed 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.443 -0.786 . . . . 0.0 109.429 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.677 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 17.6 mm -80.26 -18.56 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.257 -0.902 . . . . 0.0 109.267 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 28' ' ' ILE . . . 164.65 133.49 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.428 -0.795 . . . . 0.0 109.133 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -69.93 56.48 0.14 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.275 -0.89 . . . . 0.0 109.846 -179.727 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 33' ' ' THR . 3.3 mp 42.78 35.82 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.337 -0.852 . . . . 0.0 109.513 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.476 ' O ' ' CG ' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -53.46 87.04 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.747 -0.596 . . . . 0.0 109.603 -179.843 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 31' ' ' ILE . 32.4 p 43.6 74.76 0.11 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.879 . . . . 0.0 109.407 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 118.066 -0.969 . . . . 0.0 109.551 -179.885 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 3' ' ' SER . 37.9 t -42.42 162.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.319 -0.863 . . . . 0.0 109.783 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.489 ' N ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -46.1 119.48 2.31 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.287 -0.883 . . . . 0.0 109.1 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 6' ' ' GLN . 9.0 tm-20 -53.67 -43.52 68.93 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 0.0 109.483 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 9' ' ' HIS . 0.4 OUTLIER -45.29 -22.87 0.14 Allowed 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.39 -0.819 . . . . 0.0 110.331 -179.48 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 8' ' ' LEU . 4.2 mm-40 -47.67 171.8 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.458 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 69.48 -70.22 0.15 Allowed 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 -177.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.673 HD12 ' O ' ' A' ' 8' ' ' LEU . 4.0 tp -65.63 -31.49 72.54 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 176.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.61 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 10.7 t-160 -98.22 41.37 1.13 Allowed 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.731 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 9' ' ' HIS . 9.1 t0 -30.02 147.61 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 121.281 0.562 . . . . 0.0 110.569 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.463 ' C ' HG12 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -86.05 30.93 0.65 Allowed 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.113 -0.992 . . . . 0.0 109.97 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.471 ' O ' ' HD3' ' A' ' 13' ' ' LYS . . . -137.66 11.35 3.72 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.565 ' N ' HG13 ' A' ' 15' ' ' ILE . 24.8 mmtp -118.2 126.2 51.71 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.351 -1.088 . . . . 0.0 110.435 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.552 ' C ' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 31.4 40.27 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 122.957 1.361 . . . . 0.0 109.222 -178.848 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.942 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -93.15 -41.66 12.77 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.359 0 N-CA-C 103.465 -2.791 . . . . 0.0 103.465 177.151 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.942 ' H ' HD12 ' A' ' 15' ' ' ILE . 1.2 mm-40 -75.31 -22.17 57.89 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 104.257 -2.498 . . . . 0.0 104.257 174.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.489 ' HB2' ' HA ' ' A' ' 14' ' ' SER . 3.0 t70 -89.86 -36.93 14.78 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.131 HD22 ' CZ ' ' A' ' 22' ' ' PHE . 2.7 mt -54.07 -33.75 58.31 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 177.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.553 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -57.03 -41.13 78.02 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 114.606 -1.179 . . . . 0.0 108.134 178.002 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.667 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -84.37 -26.0 28.71 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.503 ' HB2' ' HA ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -65.94 -29.51 69.93 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 104.723 -2.325 . . . . 0.0 104.723 175.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 1.131 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 19.3 m-85 -95.73 -21.18 18.33 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.667 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -24.11 -69.05 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.315 0 CA-C-O 121.523 0.678 . . . . 0.0 110.54 -179.372 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.741 HD22 ' H ' ' A' ' 24' ' ' LEU . 1.3 mm? -75.43 -37.23 60.54 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.552 -0.717 . . . . 0.0 109.434 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.433 ' HA ' ' CG2' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -67.19 -12.73 60.82 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.042 -1.036 . . . . 0.0 110.248 -179.412 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.571 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -86.52 -68.56 0.73 Allowed 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.025 -1.047 . . . . 0.0 110.904 -179.255 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.681 HD11 ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.9 -2.53 9.92 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.225 -0.922 . . . . 0.0 110.626 -178.697 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.682 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 14.9 tt -93.62 -0.49 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.823 -1.173 . . . . 0.0 109.595 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 28' ' ' ILE . . . 165.42 120.57 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.195 -0.94 . . . . 0.0 109.433 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -167.97 123.05 0.99 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.325 -0.859 . . . . 0.0 109.292 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.4 mm 48.0 40.93 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.262 -0.899 . . . . 0.0 109.411 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.426 ' O ' ' O ' ' A' ' 33' ' ' THR . 70.3 m-70 45.99 84.16 0.03 OUTLIER 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.716 -0.615 . . . . 0.0 109.738 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 32' ' ' HIS . 8.8 p 53.65 101.36 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.292 -0.88 . . . . 0.0 109.696 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.434 179.837 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 3' ' ' SER . 3.4 p -42.45 146.01 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.32 -0.862 . . . . 0.0 109.749 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.434 ' O ' HG22 ' A' ' 2' ' ' VAL . 8.1 t -77.86 173.95 11.56 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.252 -0.905 . . . . 0.0 109.338 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 5' ' ' HIS . 1.0 OUTLIER -71.24 -71.06 0.28 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.24 -0.913 . . . . 0.0 109.302 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.472 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -44.21 -34.13 1.78 Allowed 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.275 -0.891 . . . . 0.0 109.535 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.518 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -44.92 160.53 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.435 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.518 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER 74.47 -51.66 0.68 Allowed 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.098 -1.001 . . . . 0.0 109.625 -179.683 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.764 HD12 ' O ' ' A' ' 8' ' ' LEU . 6.8 tp -64.88 -14.22 58.95 Favored 'General case' 0 C--N 1.311 -1.101 0 O-C-N 120.859 -1.15 . . . . 0.0 110.0 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.514 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 11.3 m170 -70.61 -28.97 65.25 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 122.801 1.286 . . . . 0.0 107.731 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.0 OUTLIER -39.62 -28.98 0.05 OUTLIER 'General case' 0 C--N 1.283 -2.32 0 CA-C-N 114.246 -1.343 . . . . 0.0 110.113 178.031 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -42.69 91.37 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.53 -0.731 . . . . 0.0 109.519 -179.553 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.717 ' N ' HD11 ' A' ' 15' ' ' ILE . . . 163.42 -28.22 0.23 Allowed Glycine 0 N--CA 1.485 1.953 0 N-CA-C 108.459 -1.856 . . . . 0.0 108.459 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 15' ' ' ILE . 66.4 mmtt -56.35 -164.38 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.222 0 O-C-N 121.536 -0.979 . . . . 0.0 109.836 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.913 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -69.8 62.42 0.18 Allowed 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.639 1.209 . . . . 0.0 111.035 -178.117 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.964 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -119.05 -42.99 2.54 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.374 0 N-CA-C 103.504 -2.776 . . . . 0.0 103.504 176.332 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.964 ' H ' HD12 ' A' ' 15' ' ' ILE . 3.6 mm-40 -73.36 -28.42 62.03 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 104.378 -2.453 . . . . 0.0 104.378 174.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -89.98 -35.95 15.25 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.913 HD23 ' O ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -50.5 -29.52 10.7 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 105.724 -1.954 . . . . 0.0 105.724 177.173 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.507 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.5 ttm-85 -67.83 -63.33 1.08 Allowed 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.72 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 21.7 ttm-85 -55.74 -33.93 64.71 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.503 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 17' ' ' ASP . 0.7 OUTLIER -52.14 -34.66 45.56 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 105.337 -2.097 . . . . 0.0 105.337 176.771 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.602 ' O ' ' N ' ' A' ' 26' ' ' HIS . 23.7 m-85 -90.17 -28.13 19.11 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 177.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.72 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -11.27 -75.9 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.387 0 CA-C-O 121.508 0.67 . . . . 0.0 111.367 -179.19 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.86 -31.82 31.38 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.929 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 1.1 m170 -63.47 -21.78 66.51 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.155 -0.965 . . . . 0.0 109.18 179.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.602 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.1 t60 -86.37 -73.78 0.45 Allowed 'General case' 0 N--CA 1.481 1.084 0 O-C-N 121.084 -1.01 . . . . 0.0 110.422 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 27' ' ' LEU . 5.5 mt -51.17 -46.68 62.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.401 -0.812 . . . . 0.0 109.981 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.708 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 14.9 mt -97.6 46.1 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.148 -0.97 . . . . 0.0 109.547 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.929 ' HB3' ' O ' ' A' ' 25' ' ' HIS . . . 162.35 117.41 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.54 -0.725 . . . . 0.0 109.058 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.558 ' O ' HG13 ' A' ' 31' ' ' ILE . 17.2 pt-20 -153.43 121.28 6.04 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.457 -0.777 . . . . 0.0 109.614 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.605 HD11 ' HB2' ' A' ' 34' ' ' ALA . 1.0 OUTLIER 31.4 84.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 CA-C-O 122.092 0.949 . . . . 0.0 110.593 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.482 ' O ' ' O ' ' A' ' 33' ' ' THR . 9.8 m80 40.7 53.01 3.16 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.793 -0.567 . . . . 0.0 110.356 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.482 ' O ' ' O ' ' A' ' 32' ' ' HIS . 0.2 OUTLIER 44.68 96.03 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.326 -0.858 . . . . 0.0 109.839 179.428 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.605 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.387 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 1' ' ' ALA . 2.7 p -42.18 152.53 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.427 -0.795 . . . . 0.0 109.641 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.483 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -87.59 146.61 25.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.206 -0.934 . . . . 0.0 109.449 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.6 tm-20 -61.66 -65.92 0.62 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.246 -0.908 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.489 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -43.51 -38.45 2.9 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.382 -0.824 . . . . 0.0 109.641 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 1.2 mm-40 -45.51 159.09 0.07 Allowed 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.148 -0.97 . . . . 0.0 108.691 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.513 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER 75.35 -51.84 0.65 Allowed 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.182 -0.948 . . . . 0.0 109.577 -179.696 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.909 ' O ' HD13 ' A' ' 8' ' ' LEU . 2.5 tm? -61.03 -18.65 58.93 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 120.929 -1.107 . . . . 0.0 109.744 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.555 ' O ' ' N ' ' A' ' 11' ' ' LYS . 12.0 m170 -64.29 -69.95 0.25 Allowed 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.592 ' O ' ' C ' ' A' ' 11' ' ' LYS . 4.3 t0 28.02 -88.27 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.596 176.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.4 OUTLIER 1.37 83.95 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.324 0 CA-C-O 121.374 0.607 . . . . 0.0 111.591 179.62 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 14' ' ' SER . . . 143.74 -21.04 2.18 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 108.416 -1.874 . . . . 0.0 108.416 -179.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.627 ' O ' ' O ' ' A' ' 14' ' ' SER . 9.6 mmtt -68.41 62.04 0.09 Allowed 'General case' 0 CA--C 1.482 -1.635 0 O-C-N 121.761 -0.847 . . . . 0.0 109.075 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.627 ' O ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 46.05 98.28 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 -179.456 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.59 HD13 ' CB ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -36.56 -30.2 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 179.092 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.619 ' N ' ' O ' ' A' ' 14' ' ' SER . 16.6 mm-40 -33.81 -40.45 0.08 Allowed 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 172.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' A' ' 14' ' ' SER . 6.4 t0 -87.0 -45.41 10.79 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 119.724 -0.79 . . . . 0.0 109.289 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.59 ' CB ' HD13 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -47.63 -27.27 1.8 Allowed 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 177.095 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -71.9 -54.49 9.87 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.811 177.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.655 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 8.1 ptm180 -57.35 -30.36 64.76 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.152 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.42 -28.59 65.39 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 105.637 -1.986 . . . . 0.0 105.637 176.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CE2' HD12 ' A' ' 18' ' ' LEU . 21.8 m-85 -97.35 -23.79 15.95 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.655 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -24.98 -75.81 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.408 0 CA-C-O 121.501 0.667 . . . . 0.0 110.413 -179.494 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.6 -45.09 76.48 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.488 -0.758 . . . . 0.0 109.003 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.5 ' O ' HG22 ' A' ' 28' ' ' ILE . 4.7 t-160 -48.24 -28.31 2.98 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.107 -0.996 . . . . 0.0 108.794 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.7 t60 -78.2 -50.68 11.47 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.299 -0.876 . . . . 0.0 109.991 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 mt -84.43 53.17 2.56 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.356 -0.84 . . . . 0.0 109.872 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.601 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 6.9 tp -155.36 -37.25 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.319 -0.863 . . . . 0.0 109.552 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 28' ' ' ILE . . . 170.9 138.7 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.149 -0.97 . . . . 0.0 109.731 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.987 ' O ' HD13 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -140.97 66.42 1.37 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.335 -0.853 . . . . 0.0 109.571 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.987 HD13 ' O ' ' A' ' 30' ' ' GLU . 2.5 mm -138.81 116.72 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.298 -0.876 . . . . 0.0 108.875 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.419 ' C ' ' OG1' ' A' ' 33' ' ' THR . 5.1 m-70 43.75 57.84 3.85 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.302 -0.874 . . . . 0.0 109.258 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.624 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.1 OUTLIER 60.37 164.66 0.07 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.22 -0.925 . . . . 0.0 109.47 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 33' ' ' THR . . . . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.47 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.511 ' O ' ' O ' ' A' ' 3' ' ' SER . 7.2 p -43.54 -35.92 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.199 -0.938 . . . . 0.0 109.572 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.511 ' O ' ' O ' ' A' ' 2' ' ' VAL . 4.9 p 39.5 98.82 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.616 -0.678 . . . . 0.0 110.587 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 3' ' ' SER . 23.6 tt0 -40.28 -44.24 1.87 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.458 -0.776 . . . . 0.0 109.73 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -45.58 -31.62 1.94 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.37 -0.831 . . . . 0.0 109.707 -179.83 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 1.8 mm100 -44.94 161.14 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.215 -0.928 . . . . 0.0 108.744 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.5 OUTLIER 74.16 -52.35 0.69 Allowed 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.088 -1.008 . . . . 0.0 109.617 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' A' ' 5' ' ' HIS . 33.4 tp -59.69 -29.64 68.24 Favored 'General case' 0 C--N 1.311 -1.068 0 O-C-N 121.027 -1.046 . . . . 0.0 109.825 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' A' ' 11' ' ' LYS . 11.9 m170 -68.76 -62.26 1.46 Allowed 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.21 -0.932 . . . . 0.0 108.504 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.1 t70 28.67 -87.4 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.822 176.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.56 ' N ' ' O ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -40.96 95.58 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.717 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.563 ' O ' ' N ' ' A' ' 14' ' ' SER . . . 132.95 -25.63 3.68 Favored Glycine 0 N--CA 1.484 1.851 0 N-CA-C 108.601 -1.799 . . . . 0.0 108.601 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.596 ' O ' ' O ' ' A' ' 14' ' ' SER . 6.0 mmtp -67.57 63.04 0.07 Allowed 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.495 -1.003 . . . . 0.0 108.793 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.648 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.9 OUTLIER 38.46 97.45 0.0 OUTLIER 'General case' 0 C--O 1.203 -1.393 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -179.82 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.578 ' C ' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -29.96 -37.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 178.599 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.648 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -32.62 -41.44 0.06 Allowed 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 113.823 -1.535 . . . . 0.0 108.168 174.028 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.616 ' N ' ' O ' ' A' ' 14' ' ' SER . 41.9 m-20 -90.34 -43.64 10.2 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 119.711 -0.796 . . . . 0.0 109.274 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.851 HD22 ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -49.22 -28.26 4.43 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 177.362 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -67.76 -44.44 77.48 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.84 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.687 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -69.98 -33.19 71.75 Favored 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 119.076 -1.05 . . . . 0.0 108.872 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -54.92 -27.97 47.24 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 176.333 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.851 ' CE2' HD22 ' A' ' 18' ' ' LEU . 20.5 m-85 -96.37 -26.92 15.17 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.175 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.687 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -24.45 -82.37 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.512 0 CA-C-O 121.588 0.709 . . . . 0.0 110.182 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 24' ' ' LEU . 4.3 mt -58.18 -47.55 83.04 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.517 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 7.7 t60 -44.27 -34.32 1.88 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.393 -0.817 . . . . 0.0 108.907 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.8 OUTLIER -74.95 -74.51 0.2 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.436 -0.79 . . . . 0.0 110.156 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.7 mt -55.7 -44.1 77.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.322 -0.861 . . . . 0.0 109.86 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.651 HG22 ' N ' ' A' ' 29' ' ' ALA . 25.6 mm -76.43 -93.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.103 -0.998 . . . . 0.0 109.396 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.651 ' N ' HG22 ' A' ' 28' ' ' ILE . . . -45.66 164.22 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.212 -0.93 . . . . 0.0 109.601 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' A' ' 29' ' ' ALA . 4.7 pt-20 44.01 -173.54 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.577 0.703 . . . . 0.0 110.363 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.631 ' O ' HD12 ' A' ' 31' ' ' ILE . 1.3 pp -135.35 86.13 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 CA-C-O 121.669 0.747 . . . . 0.0 109.611 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.466 ' O ' ' CB ' ' A' ' 33' ' ' THR . 28.2 m170 50.76 83.88 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.512 -0.743 . . . . 0.0 109.407 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.475 ' N ' ' OE1' ' A' ' 30' ' ' GLU . 3.0 m 71.72 151.47 0.11 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.171 -0.956 . . . . 0.0 109.414 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 117.984 -1.008 . . . . 0.0 109.523 -179.862 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.453 ' HB2' HD12 ' A' ' 7' ' ' LEU . . . . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.566 HG13 ' N ' ' A' ' 3' ' ' SER . 7.6 p -43.96 -46.08 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.299 -0.876 . . . . 0.0 109.702 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.566 ' N ' HG13 ' A' ' 2' ' ' VAL . 41.0 t -117.04 -174.97 2.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 109.534 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 5' ' ' HIS . 0.8 OUTLIER -78.18 -61.38 2.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.346 -0.846 . . . . 0.0 109.718 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.519 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -40.43 -41.56 1.43 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.594 -0.691 . . . . 0.0 110.223 -179.361 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -47.19 160.64 0.09 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.909 -1.119 . . . . 0.0 108.539 179.454 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.515 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 75.64 -50.97 0.63 Allowed 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.151 -0.968 . . . . 0.0 109.753 -179.694 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.848 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.8 tp -56.83 -30.58 63.9 Favored 'General case' 0 C--N 1.31 -1.133 0 O-C-N 120.766 -1.208 . . . . 0.0 108.994 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.519 ' O ' ' C ' ' A' ' 10' ' ' ASP . 1.9 m80 -62.87 -61.25 2.53 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.519 ' C ' ' O ' ' A' ' 9' ' ' HIS . 3.0 t0 25.55 89.61 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.762 175.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -43.61 99.89 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.199 -0.938 . . . . 0.0 109.383 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 151.39 -35.02 0.89 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.371 -1.491 . . . . 0.0 109.371 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.866 ' HB2' HD11 ' A' ' 15' ' ' ILE . 53.9 mmtt -56.62 -162.08 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.368 -1.078 . . . . 0.0 110.166 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.829 ' C ' HD13 ' A' ' 15' ' ' ILE . 1.3 m -68.1 58.86 0.07 Allowed 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 122.357 1.075 . . . . 0.0 110.784 -178.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.866 HD11 ' HB2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -113.18 -46.92 5.34 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 N-CA-C 102.625 -3.102 . . . . 0.0 102.625 176.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.479 ' O ' ' HB3' ' A' ' 19' ' ' ARG . 4.5 mt-30 -64.56 -31.23 72.36 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 173.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -88.39 -41.39 12.85 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.353 179.455 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.547 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 9.3 tp -50.74 -27.21 6.68 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 177.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.534 ' NH1' ' HB2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -66.66 -44.58 81.49 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 177.884 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.629 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -72.98 -5.81 41.19 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.02 -35.84 36.71 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 103.922 -2.622 . . . . 0.0 103.922 175.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.547 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 29.7 m-85 -86.34 -24.27 25.9 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 176.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.629 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -20.91 -73.88 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.316 0 CA-C-O 121.476 0.655 . . . . 0.0 110.596 179.765 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mt -69.99 -38.32 75.98 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.4 t-160 -54.57 -44.92 73.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.242 -0.912 . . . . 0.0 109.034 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.8 t-160 -55.16 -66.21 0.45 Allowed 'General case' 0 C--N 1.307 -1.274 0 O-C-N 121.265 -0.897 . . . . 0.0 109.601 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 26' ' ' HIS . 89.9 mt -43.74 -54.04 5.42 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.474 -0.766 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.665 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 60.9 mt -49.6 -26.88 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.259 -0.901 . . . . 0.0 109.229 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.665 ' HB2' ' O ' ' A' ' 28' ' ' ILE . . . 165.76 124.83 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.289 -0.882 . . . . 0.0 109.49 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -83.59 173.72 11.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.31 -0.869 . . . . 0.0 109.579 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.526 ' H ' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -78.71 104.94 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.245 -0.909 . . . . 0.0 109.2 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -43.67 150.9 0.21 Allowed 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.463 -0.773 . . . . 0.0 109.526 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.3 m -114.67 84.23 2.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.908 . . . . 0.0 109.409 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 118.05 -0.976 . . . . 0.0 109.514 -179.827 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.628 ' O ' HG12 ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.701 HG22 ' H ' ' A' ' 3' ' ' SER . 1.5 p 42.08 -168.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 O-C-N 121.508 -0.745 . . . . 0.0 109.956 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.701 ' H ' HG22 ' A' ' 2' ' ' VAL . 13.4 t -80.8 113.19 18.84 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.995 -1.066 . . . . 0.0 109.414 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 5' ' ' HIS . 80.6 tt0 -69.49 -37.53 77.25 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.372 -0.83 . . . . 0.0 109.657 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.483 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -42.24 -26.91 0.12 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.42 -0.8 . . . . 0.0 110.088 -179.307 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -50.07 174.86 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 178.65 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER 68.55 -67.01 0.22 Allowed 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -178.271 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 6' ' ' GLN . 9.0 tp -66.66 -32.41 73.71 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 176.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.634 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 8.5 t60 -93.76 38.07 1.07 Allowed 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.584 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 9' ' ' HIS . 54.9 t0 -33.33 92.37 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.426 -0.797 . . . . 0.0 110.574 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -63.41 116.91 5.98 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.257 -0.902 . . . . 0.0 109.706 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.568 ' O ' ' N ' ' A' ' 14' ' ' SER . . . 135.63 -26.14 3.2 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.57 ' O ' ' O ' ' A' ' 14' ' ' SER . 0.4 OUTLIER -65.71 70.59 0.05 Allowed 'General case' 0 CA--C 1.485 -1.536 0 O-C-N 121.515 -0.991 . . . . 0.0 108.776 178.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.623 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.4 OUTLIER 28.23 99.73 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.364 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.552 ' C ' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -35.27 -33.46 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 178.171 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.601 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -33.89 -40.4 0.08 Allowed 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 113.849 -1.523 . . . . 0.0 107.979 173.483 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.623 ' N ' ' O ' ' A' ' 14' ' ' SER . 21.0 m-20 -87.08 -45.3 10.84 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 119.636 -0.826 . . . . 0.0 109.295 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.707 HD13 ' HE ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -47.61 -27.01 1.66 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 177.154 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -72.25 -52.01 18.33 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.911 -1.041 . . . . 0.0 108.983 178.158 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.646 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 7.7 ptm180 -59.36 -32.89 70.53 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 119.154 -1.018 . . . . 0.0 109.293 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.707 ' HE ' HD13 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -55.66 -28.84 57.66 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 176.686 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 23.1 m-85 -96.96 -24.89 15.61 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.646 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -23.11 -78.61 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.525 0 CA-C-O 121.385 0.612 . . . . 0.0 110.203 -179.828 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 25' ' ' HIS . 0.8 OUTLIER -63.08 -38.83 92.75 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.01 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 22' ' ' PHE . 3.0 t60 -44.31 -37.16 3.13 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 27' ' ' LEU . 2.3 t60 -76.26 -68.23 0.61 Allowed 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.635 -0.666 . . . . 0.0 109.645 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 29' ' ' ALA . 75.4 mt -51.0 -178.92 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.497 -0.752 . . . . 0.0 109.824 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.432 ' HB ' ' O ' ' A' ' 27' ' ' LEU . 23.5 mm 66.8 -59.85 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.403 -0.81 . . . . 0.0 109.773 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -163.52 90.83 0.65 Allowed 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.21 -0.931 . . . . 0.0 109.33 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.41 147.08 52.59 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.387 -0.821 . . . . 0.0 109.776 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -55.54 113.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.356 -0.84 . . . . 0.0 109.047 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 33' ' ' THR . 58.8 t-80 -71.94 55.31 0.29 Allowed 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.952 -0.467 . . . . 0.0 109.808 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 32' ' ' HIS . 36.8 p 41.77 57.41 3.12 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.311 -0.868 . . . . 0.0 109.62 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.65 -179.85 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.281 0.563 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.1 p -52.12 153.09 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.201 -0.937 . . . . 0.0 109.849 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 t -139.94 148.97 42.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 0.0 109.346 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.689 ' HA ' HD12 ' A' ' 7' ' ' LEU . 22.8 tt0 -65.72 -56.42 12.14 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.261 -0.9 . . . . 0.0 109.632 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 0.4 OUTLIER -47.95 -22.13 0.54 Allowed 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.285 -0.884 . . . . 0.0 110.012 -179.513 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.489 ' O ' ' HA ' ' A' ' 10' ' ' ASP . 0.5 OUTLIER -84.86 21.53 1.56 Allowed 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.16 -0.962 . . . . 0.0 110.481 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -102.0 -66.7 0.91 Allowed 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 178.21 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.013 HD13 ' N ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -61.51 -44.6 96.77 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 177.115 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 1.013 ' N ' HD13 ' A' ' 8' ' ' LEU . 7.4 t-160 -93.96 44.21 1.12 Allowed 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.489 ' HA ' ' O ' ' A' ' 6' ' ' GLN . 2.8 t70 -39.07 92.34 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.336 -0.852 . . . . 0.0 110.455 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' A' ' 9' ' ' HIS . 3.0 tmtt? -63.76 103.63 0.58 Allowed 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.328 -0.858 . . . . 0.0 109.109 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 14' ' ' SER . . . 141.57 -15.53 2.68 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.583 ' O ' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -68.43 62.05 0.09 Allowed 'General case' 0 CA--C 1.481 -1.702 0 O-C-N 121.62 -0.929 . . . . 0.0 109.17 179.058 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.617 ' O ' ' N ' ' A' ' 16' ' ' GLN . 7.8 p 42.46 95.09 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.715 ' CD1' HD23 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -36.07 -31.74 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 179.291 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.617 ' N ' ' O ' ' A' ' 14' ' ' SER . 41.8 mm-40 -31.78 -42.09 0.05 Allowed 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.293 -1.321 . . . . 0.0 107.652 172.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.4 OUTLIER -87.9 -49.77 6.87 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 119.589 -0.845 . . . . 0.0 109.875 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.715 HD23 ' CD1' ' A' ' 15' ' ' ILE . 49.1 tp -49.49 -26.82 3.68 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -65.2 -44.52 88.11 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 177.704 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.655 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -71.82 -15.5 62.15 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.857 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.49 -33.05 68.92 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 104.756 -2.312 . . . . 0.0 104.756 176.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.611 ' O ' ' N ' ' A' ' 26' ' ' HIS . 24.7 m-85 -93.53 -20.61 20.09 Favored 'General case' 0 C--O 1.203 -1.35 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 177.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.655 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -23.88 -54.61 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.344 0 CA-C-O 121.557 0.694 . . . . 0.0 110.617 -179.498 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.6 mt -94.45 -26.65 16.39 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.412 -0.805 . . . . 0.0 108.968 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 22' ' ' PHE . 7.0 t60 -76.48 -21.54 55.69 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.309 -0.869 . . . . 0.0 109.684 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.611 ' N ' ' O ' ' A' ' 22' ' ' PHE . 2.1 t60 -78.36 -49.99 12.57 Favored 'General case' 0 C--N 1.308 -1.234 0 O-C-N 121.228 -0.92 . . . . 0.0 110.733 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.9 mt -79.25 9.19 4.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.353 -0.842 . . . . 0.0 110.106 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.603 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 2.6 tp -120.31 -10.46 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 120.984 -1.073 . . . . 0.0 109.638 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 28' ' ' ILE . . . 170.58 159.54 0.07 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.202 -0.936 . . . . 0.0 109.939 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -171.84 136.52 0.92 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.383 -0.823 . . . . 0.0 109.1 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.19 39.97 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.037 -1.039 . . . . 0.0 109.9 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.4 ' C ' ' OG1' ' A' ' 33' ' ' THR . 37.5 m-70 -107.58 51.17 0.75 Allowed 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.558 -0.714 . . . . 0.0 109.436 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 32' ' ' HIS . 0.2 OUTLIER 49.04 58.33 5.49 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.26 -0.9 . . . . 0.0 109.163 -179.635 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 118.022 -0.989 . . . . 0.0 109.457 -179.797 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.481 ' O ' ' O ' ' A' ' 3' ' ' SER . 4.9 p -45.83 -25.51 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.121 -0.987 . . . . 0.0 109.455 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.481 ' O ' ' O ' ' A' ' 2' ' ' VAL . 5.1 p 38.53 97.04 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.56 -0.713 . . . . 0.0 110.763 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 5' ' ' HIS . 53.4 tt0 -43.36 -47.4 6.81 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.215 -0.928 . . . . 0.0 109.815 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.484 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -42.19 -31.27 0.36 Allowed 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.442 -0.786 . . . . 0.0 110.236 -179.209 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 5.0 mm100 -49.07 172.85 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER 71.93 -66.71 0.29 Allowed 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 -178.233 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.4 tp -71.41 -37.35 71.51 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 177.195 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.513 ' O ' ' C ' ' A' ' 10' ' ' ASP . 12.1 t-80 -71.49 -5.16 31.02 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.935 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' A' ' 9' ' ' HIS . 4.2 t0 28.07 79.85 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.243 0.544 . . . . 0.0 111.64 178.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -46.9 -25.13 0.71 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.13 -0.981 . . . . 0.0 108.875 179.225 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.587 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . -178.21 -28.68 0.04 OUTLIER Glycine 0 N--CA 1.491 2.301 0 C-N-CA 119.886 -1.149 . . . . 0.0 110.276 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.629 ' N ' HG13 ' A' ' 15' ' ' ILE . 41.2 mmtt 52.14 133.93 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.589 -0.948 . . . . 0.0 111.752 178.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.559 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.9 OUTLIER 39.08 35.86 0.15 Allowed 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 123.239 1.495 . . . . 0.0 107.149 -177.84 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.744 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -84.78 -52.37 12.55 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.03 0 N-CA-C 103.041 -2.948 . . . . 0.0 103.041 178.46 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.744 ' H ' HD12 ' A' ' 15' ' ' ILE . 2.9 mt-30 -63.99 -19.64 65.31 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 174.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB2' ' CA ' ' A' ' 14' ' ' SER . 5.7 m-20 -92.63 -31.37 15.18 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.587 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 1.6 pp -47.24 -29.01 2.14 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 177.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.8 ttm180 -69.15 -53.28 20.94 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 114.355 -1.293 . . . . 0.0 107.91 176.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.658 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 6.5 ptm180 -67.43 -35.36 79.1 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.73 -27.9 31.1 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 176.452 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 12.6 m-30 -97.06 -27.24 14.68 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.658 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -22.16 -76.12 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.475 0 CA-C-O 121.502 0.668 . . . . 0.0 110.394 -179.797 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mt -66.92 -42.2 85.77 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.426 -0.796 . . . . 0.0 108.862 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.8 OUTLIER -48.42 -39.19 21.78 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.235 -0.915 . . . . 0.0 108.747 179.496 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.451 ' O ' ' O ' ' A' ' 29' ' ' ALA . 1.7 t60 -68.33 -62.34 1.44 Allowed 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.487 -0.758 . . . . 0.0 109.931 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 29' ' ' ALA . 49.0 mt -63.38 -166.92 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.435 -0.791 . . . . 0.0 109.727 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.494 ' HB ' ' O ' ' A' ' 27' ' ' LEU . 90.3 mt 66.04 -57.64 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.534 -0.729 . . . . 0.0 109.864 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -146.85 178.52 8.27 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.174 -0.954 . . . . 0.0 109.261 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.46 ' HG3' ' C ' ' A' ' 29' ' ' ALA . 3.3 mt-10 59.19 114.16 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.091 -1.005 . . . . 0.0 109.493 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.567 HG22 ' O ' ' A' ' 31' ' ' ILE . 16.4 mm -133.76 36.96 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.146 -0.972 . . . . 0.0 109.321 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.547 ' CG ' ' C ' ' A' ' 31' ' ' ILE . 0.8 OUTLIER 165.4 71.85 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.97 54.78 0.88 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -0.852 . . . . 0.0 109.535 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.492 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.233 0.539 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.3 p -44.98 149.13 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.313 -0.867 . . . . 0.0 109.565 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 p -56.57 177.66 0.07 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.411 -0.805 . . . . 0.0 109.56 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 6' ' ' GLN . 7.8 tt0 -103.45 -35.39 8.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.236 -0.915 . . . . 0.0 109.541 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.478 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -40.76 -28.37 0.07 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.584 -0.698 . . . . 0.0 109.959 -179.476 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -46.94 168.5 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.049 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.8 OUTLIER 68.01 -69.16 0.15 Allowed 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.668 -1.27 . . . . 0.0 107.673 -178.457 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 6' ' ' GLN . 17.6 tp -61.36 -52.93 62.57 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 177.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.486 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 0.7 OUTLIER -42.7 -68.97 0.15 Allowed 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.155 178.264 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.486 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 8.8 t0 -94.29 68.08 3.58 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.554 -0.716 . . . . 0.0 109.807 -179.472 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ASP . 3.2 tttt -44.2 -37.36 3.13 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.082 -1.011 . . . . 0.0 109.23 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.824 ' O ' HG23 ' A' ' 15' ' ' ILE . . . 159.9 36.88 0.02 OUTLIER Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.639 ' O ' ' O ' ' A' ' 12' ' ' GLY . 39.3 mmtm -23.56 151.9 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.372 0 CA-C-O 121.993 0.901 . . . . 0.0 112.18 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.601 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER 48.83 35.17 6.1 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 103.248 -2.871 . . . . 0.0 103.248 -175.782 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.824 HG23 ' O ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -76.36 -57.95 5.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 104.483 -2.414 . . . . 0.0 104.483 -179.134 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.674 ' H ' HD12 ' A' ' 15' ' ' ILE . 15.9 mm-40 -57.02 -19.99 21.72 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 105.284 -2.117 . . . . 0.0 105.284 175.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.519 ' HB2' ' HA ' ' A' ' 14' ' ' SER . 0.5 OUTLIER -88.29 -39.93 14.01 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.705 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.802 HD22 ' NE ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -49.47 -29.11 6.12 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 177.119 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -68.41 -49.65 58.47 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.712 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.618 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -73.32 -10.68 60.01 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.696 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.802 ' NE ' HD22 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -76.15 -34.3 59.39 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 104.443 -2.428 . . . . 0.0 104.443 176.154 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.639 ' CE2' HD12 ' A' ' 18' ' ' LEU . 25.5 m-85 -90.42 -23.94 20.9 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.618 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -17.48 -76.25 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.327 0 CA-C-O 121.319 0.58 . . . . 0.0 111.087 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.0 mp -78.09 -29.4 49.02 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.326 -0.859 . . . . 0.0 108.996 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.649 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -65.87 -22.12 66.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.255 -0.903 . . . . 0.0 109.547 179.726 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.607 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.4 t60 -85.35 -74.03 0.42 Allowed 'General case' 0 C--N 1.309 -1.183 0 O-C-N 121.173 -0.955 . . . . 0.0 110.371 -179.41 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.588 HD23 ' N ' ' A' ' 27' ' ' LEU . 4.3 mt -47.46 -66.66 0.37 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.34 -0.85 . . . . 0.0 109.47 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.531 HG22 ' N ' ' A' ' 29' ' ' ALA . 70.8 mt -68.03 -90.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.229 -0.919 . . . . 0.0 109.188 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.649 ' HB3' ' HA ' ' A' ' 25' ' ' HIS . . . -54.87 170.16 0.19 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.381 -0.825 . . . . 0.0 109.397 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.62 ' C ' HD13 ' A' ' 31' ' ' ILE . 4.3 pt-20 -155.09 92.9 1.48 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.239 -0.913 . . . . 0.0 109.058 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.62 HD13 ' C ' ' A' ' 30' ' ' GLU . 2.2 mm -107.48 43.54 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.296 -0.878 . . . . 0.0 109.561 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -55.38 82.06 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.732 -0.605 . . . . 0.0 109.749 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 31' ' ' ILE . 98.1 m -132.72 71.66 1.48 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.154 -0.966 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.56 -179.818 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 1' ' ' ALA . 7.6 p -43.97 161.77 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.339 -0.85 . . . . 0.0 109.688 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.4 ' N ' HG22 ' A' ' 2' ' ' VAL . 1.0 OUTLIER -58.08 124.54 19.68 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.195 -0.941 . . . . 0.0 109.321 179.701 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.1 tt0 -72.77 -26.5 61.56 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.259 -0.901 . . . . 0.0 109.215 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.534 ' HB3' ' NE2' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -42.82 -28.88 0.28 Allowed 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.426 -0.796 . . . . 0.0 109.979 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.505 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 3.0 mt-30 -42.62 158.41 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.348 -0.845 . . . . 0.0 109.069 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER 76.01 -49.58 0.6 Allowed 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.303 -0.873 . . . . 0.0 109.734 -179.704 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 8' ' ' LEU . 9.5 tp -65.82 -9.77 31.7 Favored 'General case' 0 C--N 1.311 -1.101 0 O-C-N 120.905 -1.122 . . . . 0.0 110.205 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.557 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 10.6 m170 -80.15 -32.17 38.9 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-O 122.814 1.292 . . . . 0.0 108.053 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.472 ' OD1' ' HG2' ' A' ' 13' ' ' LYS . 10.2 t0 -39.33 92.53 0.01 OUTLIER 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 114.336 -1.302 . . . . 0.0 110.204 178.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 9' ' ' HIS . 6.2 ttmm -68.83 -4.49 16.4 Favored 'General case' 0 C--N 1.307 -1.256 0 O-C-N 121.301 -0.874 . . . . 0.0 109.478 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.588 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 140.96 -4.35 2.37 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.644 ' N ' HG13 ' A' ' 15' ' ' ILE . 20.0 mmtt 52.41 131.8 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.204 0 O-C-N 121.661 -0.905 . . . . 0.0 111.684 178.365 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.568 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.8 OUTLIER 40.64 37.17 0.45 Allowed 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 -177.678 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.759 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -87.03 -52.57 11.53 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.16 0 N-CA-C 103.568 -2.753 . . . . 0.0 103.568 178.647 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.759 ' H ' HD12 ' A' ' 15' ' ' ILE . 5.5 mt-30 -62.6 -22.41 66.37 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 104.825 -2.287 . . . . 0.0 104.825 174.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.512 ' HB2' ' CA ' ' A' ' 14' ' ' SER . 70.8 m-20 -89.19 -36.66 15.54 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 178.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.588 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 5.5 tp -50.31 -27.76 6.72 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 105.174 -2.158 . . . . 0.0 105.174 176.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.544 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -74.65 -56.15 5.12 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.518 -1.219 . . . . 0.0 108.124 177.767 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.678 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 1.8 ptm180 -63.64 -25.47 68.23 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.214 -0.994 . . . . 0.0 108.696 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -61.37 -30.73 70.71 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 105.031 -2.211 . . . . 0.0 105.031 176.382 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.588 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 17.0 m-85 -95.59 -23.58 16.99 Favored 'General case' 0 C--N 1.309 -1.196 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.678 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -27.27 -82.23 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.472 0 CA-C-O 121.66 0.743 . . . . 0.0 110.035 -179.68 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.524 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 1.3 mp -54.88 -46.23 74.72 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -49.14 -38.23 24.56 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.079 -1.013 . . . . 0.0 108.835 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 28' ' ' ILE . 3.2 t60 -66.57 -69.0 0.33 Allowed 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.616 -0.678 . . . . 0.0 110.077 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 26' ' ' HIS . 89.7 mt -36.36 -30.75 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.086 0.47 . . . . 0.0 110.455 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.524 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -107.37 -88.39 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.027 -1.046 . . . . 0.0 109.371 179.626 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.11 123.49 14.63 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.258 -0.901 . . . . 0.0 109.834 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -173.76 140.37 0.76 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.245 -0.909 . . . . 0.0 109.345 179.441 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.464 ' O ' ' O ' ' A' ' 30' ' ' GLU . 3.0 mm 56.12 111.01 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.5 -0.75 . . . . 0.0 109.599 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -78.98 92.62 4.97 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.4 -0.812 . . . . 0.0 109.665 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.35 117.53 8.73 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.2 -0.937 . . . . 0.0 109.391 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.429 179.872 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.52 ' O ' ' O ' ' A' ' 3' ' ' SER . 11.7 p -42.35 -29.98 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.31 -0.869 . . . . 0.0 109.731 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.52 ' O ' ' O ' ' A' ' 2' ' ' VAL . 1.2 p 40.51 101.5 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.637 0.732 . . . . 0.0 110.787 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 3' ' ' SER . 14.2 tt0 -43.01 -34.46 1.0 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.103 -0.998 . . . . 0.0 109.412 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.725 ' ND1' HD23 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -50.03 -19.81 0.81 Allowed 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.343 -0.848 . . . . 0.0 110.011 -179.643 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.7 OUTLIER -47.25 170.24 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.146 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER 69.81 -67.47 0.23 Allowed 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -178.286 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.725 HD23 ' ND1' ' A' ' 5' ' ' HIS . 12.9 tp -59.61 -44.58 93.38 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 176.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.565 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 0.4 OUTLIER -48.58 -76.03 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 114.627 -1.17 . . . . 0.0 110.225 179.442 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.565 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 13.1 t0 -80.69 -45.68 16.76 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.483 -0.76 . . . . 0.0 110.366 -178.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.538 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 44.08 23.08 0.05 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.347 -0.846 . . . . 0.0 110.751 179.575 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.577 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 110.16 -28.16 10.76 Favored Glycine 0 N--CA 1.491 2.306 0 C-N-CA 119.694 -1.241 . . . . 0.0 110.139 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.667 ' N ' HG13 ' A' ' 15' ' ' ILE . 21.3 mmtp 53.28 133.38 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.623 -0.928 . . . . 0.0 111.683 178.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.581 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER 40.92 36.67 0.44 Allowed 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 -177.149 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.753 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -85.89 -55.07 7.14 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.076 0 N-CA-C 103.553 -2.758 . . . . 0.0 103.553 178.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.753 ' H ' HD12 ' A' ' 15' ' ' ILE . 98.9 mm-40 -57.34 -23.56 49.62 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 104.922 -2.251 . . . . 0.0 104.922 175.096 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.444 ' C ' ' N ' ' A' ' 19' ' ' ARG . 9.2 t0 -88.78 -40.24 13.33 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 178.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.633 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 9.2 tp -50.4 -27.43 6.35 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 177.394 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.525 ' HG2' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -67.54 -61.67 1.78 Allowed 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.189 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.704 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -62.2 -28.02 69.38 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 178.812 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.503 ' HB2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -54.43 -34.51 61.55 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 104.638 -2.356 . . . . 0.0 104.638 176.189 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.633 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 20.9 m-85 -89.41 -28.63 19.62 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 176.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.704 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -13.58 -78.34 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.555 0 CA-C-O 121.625 0.726 . . . . 0.0 111.136 -178.869 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.887 ' O ' HG22 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -74.79 -36.89 62.5 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.469 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.601 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -53.5 -31.86 47.86 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.303 -0.873 . . . . 0.0 108.826 179.265 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 22' ' ' PHE . 4.6 t60 -75.86 -49.21 18.58 Favored 'General case' 0 C--N 1.31 -1.114 0 O-C-N 121.275 -0.891 . . . . 0.0 110.159 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -69.84 -30.72 68.28 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.377 -0.827 . . . . 0.0 109.734 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.887 HG22 ' O ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -108.24 36.65 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.146 -0.972 . . . . 0.0 109.48 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 28' ' ' ILE . . . 162.36 114.38 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.374 -0.829 . . . . 0.0 109.458 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -123.32 153.0 40.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.299 -0.875 . . . . 0.0 109.5 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.794 HD13 ' N ' ' A' ' 31' ' ' ILE . 0.4 OUTLIER -80.58 103.71 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.17 -0.956 . . . . 0.0 108.929 179.668 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -44.93 95.7 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.516 -0.74 . . . . 0.0 109.756 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -69.0 87.69 0.38 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.192 -0.942 . . . . 0.0 109.528 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.376 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.4 p -49.79 152.57 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.273 -0.892 . . . . 0.0 109.685 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.96 157.95 36.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.894 . . . . 0.0 109.27 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.4 tt0 -78.44 -64.44 1.17 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.155 -0.966 . . . . 0.0 109.628 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.487 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -42.3 -35.23 0.94 Allowed 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.374 -0.829 . . . . 0.0 109.97 -179.491 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 2.6 mt-30 -46.3 163.12 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.01 -1.056 . . . . 0.0 108.293 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER 73.08 -52.56 0.71 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.062 -1.024 . . . . 0.0 109.765 -179.693 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 8' ' ' LEU . 9.5 tp -61.37 -19.6 62.05 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 120.893 -1.129 . . . . 0.0 109.815 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.541 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 9.9 m170 -81.13 -30.41 34.53 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.794 1.283 . . . . 0.0 107.902 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.564 ' OD2' ' CG ' ' A' ' 13' ' ' LYS . 1.9 t70 -90.98 12.59 19.19 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.785 -178.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.67 ' HA ' ' HB3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -73.73 42.62 0.14 Allowed 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.997 -1.064 . . . . 0.0 110.105 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.635 ' HA2' ' CB ' ' A' ' 17' ' ' ASP . . . -161.87 15.84 0.15 Allowed Glycine 0 N--CA 1.479 1.565 0 C-N-CA 119.095 -1.526 . . . . 0.0 111.035 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.606 ' O ' HG13 ' A' ' 15' ' ' ILE . 8.1 mmtt -60.62 48.27 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.009 -1.289 . . . . 0.0 112.055 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.833 ' O ' HG23 ' A' ' 15' ' ' ILE . 2.5 t 56.69 52.77 9.17 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.368 -1.457 . . . . 0.0 108.241 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.842 HD12 ' HG2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER 164.77 -64.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.349 0 N-CA-C 105.445 -2.058 . . . . 0.0 105.445 -178.311 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.842 ' HG2' HD12 ' A' ' 15' ' ' ILE . 3.2 mm-40 -51.37 -25.84 6.78 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 175.183 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.635 ' CB ' ' HA2' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -95.04 -33.25 12.78 Favored 'General case' 0 C--O 1.205 -1.259 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 177.424 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.609 ' HG ' ' CZ ' ' A' ' 22' ' ' PHE . 4.7 tp -45.91 -29.04 1.26 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 106.152 -1.795 . . . . 0.0 106.152 177.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' PHE . 3.2 ttm-85 -68.62 -51.45 42.11 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.676 -1.147 . . . . 0.0 107.933 177.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.693 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -72.83 -29.16 63.0 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.511 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -58.28 -32.31 68.3 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 104.719 -2.326 . . . . 0.0 104.719 176.28 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.609 ' CZ ' ' HG ' ' A' ' 18' ' ' LEU . 14.0 m-30 -92.51 -25.98 18.15 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.693 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -18.55 -77.33 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.509 0 CA-C-O 121.602 0.715 . . . . 0.0 110.712 -179.651 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp -70.82 -36.63 73.03 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.751 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -57.23 -24.95 58.08 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.068 -1.02 . . . . 0.0 109.067 179.742 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.543 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.5 t60 -79.7 -59.59 2.68 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.4 -0.813 . . . . 0.0 110.429 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.5 mt -65.23 -28.66 69.52 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.579 -0.7 . . . . 0.0 110.123 -179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.711 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 7.1 mm -122.05 43.38 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.127 -0.983 . . . . 0.0 109.507 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 25' ' ' HIS . . . 162.54 -178.48 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.374 -0.829 . . . . 0.0 109.503 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 178.75 143.56 0.12 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.234 -0.916 . . . . 0.0 109.511 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 31' ' ' ILE . 19.0 mm 51.07 37.48 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.315 -0.865 . . . . 0.0 109.681 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.444 ' O ' ' O ' ' A' ' 33' ' ' THR . 12.0 t60 -48.64 110.27 0.33 Allowed 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.719 -0.613 . . . . 0.0 109.382 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 32' ' ' HIS . 24.1 m 53.97 102.57 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.205 -0.935 . . . . 0.0 109.419 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.465 179.822 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 1' ' ' ALA . 2.8 p -44.02 146.98 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.286 -0.884 . . . . 0.0 109.489 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.35 158.92 28.64 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.277 -0.889 . . . . 0.0 109.652 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' HIS . 30.4 tt0 -97.69 -59.79 1.7 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.268 -0.895 . . . . 0.0 109.47 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.559 ' O ' ' N ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -42.78 -27.68 0.19 Allowed 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.364 -0.835 . . . . 0.0 110.023 -179.761 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -45.65 167.54 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.405 179.63 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 70.81 -63.32 0.42 Allowed 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 -178.404 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 6' ' ' GLN . 10.8 tp -75.24 -30.71 60.59 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.559 ' N ' ' O ' ' A' ' 5' ' ' HIS . 6.6 t-80 -59.29 -34.44 72.28 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.137 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.599 ' O ' ' N ' ' A' ' 12' ' ' GLY . 5.1 t0 26.87 -89.04 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.239 0 CA-C-O 120.774 0.321 . . . . 0.0 111.555 178.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 1.009 ' HG2' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -40.69 89.83 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . 145.52 -31.89 1.64 Allowed Glycine 0 N--CA 1.481 1.66 0 N-CA-C 106.381 -2.687 . . . . 0.0 106.381 -178.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.595 ' O ' ' O ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -70.28 62.13 0.22 Allowed 'General case' 0 CA--C 1.479 -1.788 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 176.595 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.653 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER 53.26 92.64 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 104.542 -2.392 . . . . 0.0 104.542 -176.295 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.82 HD12 ' N ' ' A' ' 16' ' ' GLN . 2.8 pp -34.29 -32.16 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.82 ' N ' HD12 ' A' ' 15' ' ' ILE . 12.7 mm-40 -31.06 -38.44 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 173.015 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.611 ' N ' ' O ' ' A' ' 14' ' ' SER . 7.7 m-20 -87.56 -50.92 6.2 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 114.859 -1.064 . . . . 0.0 108.825 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.009 HD22 ' HG2' ' A' ' 11' ' ' LYS . 14.0 tp -46.89 -28.24 1.52 Allowed 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 177.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -65.89 -55.31 17.64 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 177.64 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.657 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 5.8 ptp180 -61.28 -14.0 23.14 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.585 -0.846 . . . . 0.0 108.875 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.569 ' NH2' ' CB ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -73.37 -31.01 63.67 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 104.967 -2.234 . . . . 0.0 104.967 176.134 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.539 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 20.4 m-85 -94.28 -22.97 18.04 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.657 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -22.35 -78.21 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.323 0 CA-C-O 121.678 0.751 . . . . 0.0 110.393 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.606 ' O ' HG22 ' A' ' 28' ' ' ILE . 0.3 OUTLIER -66.47 -41.99 88.21 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.715 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -50.54 -35.86 31.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.218 -0.927 . . . . 0.0 109.419 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.5 t60 -88.65 -69.41 0.71 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.187 -0.946 . . . . 0.0 110.281 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.0 mt -46.3 -34.94 4.87 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.606 -0.684 . . . . 0.0 110.414 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 24' ' ' LEU . 5.0 tt -67.2 -15.14 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.034 -1.041 . . . . 0.0 109.734 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 28' ' ' ILE . . . 49.71 95.71 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.194 -0.941 . . . . 0.0 109.137 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.592 ' C ' HD13 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -115.79 102.13 9.44 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.299 -0.875 . . . . 0.0 110.188 -179.477 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.694 HD13 ' N ' ' A' ' 31' ' ' ILE . 0.1 OUTLIER -104.35 109.03 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.238 -0.913 . . . . 0.0 108.709 179.5 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -132.61 58.23 1.77 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.148 -0.97 . . . . 0.0 109.782 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.7 m -138.64 51.06 1.84 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.315 -0.865 . . . . 0.0 109.243 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.387 -179.94 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' ALA . 2.0 p -42.18 142.71 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.388 -0.82 . . . . 0.0 109.595 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.462 ' OG ' ' HG3' ' A' ' 6' ' ' GLN . 38.4 p -54.52 117.52 3.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.366 -0.834 . . . . 0.0 109.575 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.468 ' O ' ' O ' ' A' ' 5' ' ' HIS . 13.3 tt0 -57.61 -71.47 0.1 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.403 -0.81 . . . . 0.0 109.711 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.517 ' O ' ' O ' ' A' ' 6' ' ' GLN . 2.6 m-70 -42.24 -95.61 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.46 -0.775 . . . . 0.0 110.767 -179.481 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.793 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER 42.22 -160.08 0.01 OUTLIER 'General case' 0 C--O 1.205 -1.265 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -177.813 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 6' ' ' GLN . 1.8 mt 39.49 -79.5 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.068 0 CA-C-N 119.342 0.974 . . . . 0.0 109.647 178.934 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.793 ' N ' ' O ' ' A' ' 6' ' ' GLN . 2.3 tp -64.6 -42.33 95.64 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.757 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.704 ' CD2' ' HB2' ' A' ' 11' ' ' LYS . 22.7 t60 -79.25 4.62 14.5 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.013 179.545 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.542 ' C ' ' O ' ' A' ' 9' ' ' HIS . 5.3 t0 20.48 55.14 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.811 0.815 . . . . 0.0 111.419 178.88 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.704 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 1.4 tttt -62.02 -34.19 75.75 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.8 -1.187 . . . . 0.0 109.141 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.649 ' CA ' HD23 ' A' ' 18' ' ' LEU . . . -169.42 37.41 0.2 Allowed Glycine 0 N--CA 1.48 1.568 0 N-CA-C 106.902 -2.479 . . . . 0.0 106.902 179.75 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.619 ' O ' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER 37.18 69.72 0.21 Allowed 'General case' 0 CA--C 1.479 -1.761 0 O-C-N 122.147 -0.619 . . . . 0.0 110.328 179.456 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.63 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER 57.36 97.89 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 103.957 -2.609 . . . . 0.0 103.957 -177.231 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.594 ' HA ' ' HB2' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -37.37 -28.82 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 107.362 -1.348 . . . . 0.0 107.362 -178.296 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.63 ' N ' ' O ' ' A' ' 14' ' ' SER . 42.3 mm-40 -32.55 -39.24 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 172.15 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' ILE . 1.1 m-20 -88.76 -45.42 9.8 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 119.866 -0.734 . . . . 0.0 109.628 179.57 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.649 HD23 ' CA ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -48.2 -27.18 2.28 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 177.355 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -70.12 -48.26 58.28 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 177.55 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.643 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -62.21 -16.72 55.08 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.554 -0.858 . . . . 0.0 109.157 -179.8 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -72.4 -29.93 64.19 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 176.732 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.533 ' O ' ' C ' ' A' ' 23' ' ' PHE . 33.7 m-85 -96.02 -21.59 17.9 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.453 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.643 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -22.65 -75.74 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.377 0 CA-C-O 121.621 0.724 . . . . 0.0 109.939 179.727 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.975 ' O ' HG23 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -66.13 -42.65 88.85 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.862 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.527 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 1.7 t60 -45.28 -38.93 6.04 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.243 -0.91 . . . . 0.0 108.709 179.283 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.8 t-80 -77.1 -42.47 37.97 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.478 -0.764 . . . . 0.0 110.544 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 mt -83.69 4.68 27.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.276 -0.89 . . . . 0.0 110.624 -178.797 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.975 HG23 ' O ' ' A' ' 24' ' ' LEU . 28.7 pt -108.99 -41.48 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.926 -1.109 . . . . 0.0 109.68 179.834 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 28' ' ' ILE . . . 159.69 84.55 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.541 -0.724 . . . . 0.0 109.319 179.814 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -53.35 140.44 27.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.15 -0.969 . . . . 0.0 109.434 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.527 ' O ' ' CD1' ' A' ' 31' ' ' ILE . 1.0 OUTLIER -149.95 93.67 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.321 -0.862 . . . . 0.0 109.405 -179.808 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 55.96 56.68 5.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.191 -0.943 . . . . 0.0 109.508 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.507 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 54.9 m -102.18 128.24 48.77 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.271 -0.893 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 33' ' ' THR . . . . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.382 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 121.309 0.576 . . . . 0.0 109.46 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' ALA . 7.1 p -43.19 -29.07 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.295 -0.878 . . . . 0.0 109.674 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 6.5 t -141.36 147.87 38.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.633 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -74.77 -60.68 2.17 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.258 -0.901 . . . . 0.0 109.455 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.501 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -51.15 -19.33 1.12 Allowed 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.388 -0.82 . . . . 0.0 110.12 -179.895 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER -49.56 175.21 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.785 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 6' ' ' GLN . 2.6 mt 68.48 -68.71 0.17 Allowed 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -178.427 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 8' ' ' LEU . 7.2 tp -66.99 -30.15 70.19 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 176.603 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.626 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 10.1 t-160 -97.13 39.3 1.19 Allowed 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.633 179.473 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' A' ' 12' ' ' GLY . 2.9 t70 -28.69 93.06 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.714 -0.616 . . . . 0.0 110.552 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' HIS . 1.9 tmtp? -50.07 88.86 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.449 -0.782 . . . . 0.0 109.599 -179.732 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.56 ' O ' ' C ' ' A' ' 13' ' ' LYS . . . 147.24 -93.11 0.15 Allowed Glycine 0 N--CA 1.48 1.609 0 N-CA-C 107.308 -2.317 . . . . 0.0 107.308 -179.478 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.564 ' O ' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER 32.37 38.67 0.01 OUTLIER 'General case' 0 CA--C 1.478 -1.813 0 CA-C-N 118.002 0.901 . . . . 0.0 109.095 178.333 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.706 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 49.57 90.89 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 -177.816 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.782 HD12 ' N ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -34.47 -27.92 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.529 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 179.23 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.771 ' H ' HD12 ' A' ' 15' ' ' ILE . 7.3 mm-40 -37.79 -31.58 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 172.06 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.706 ' N ' ' O ' ' A' ' 14' ' ' SER . 1.7 m-20 -88.71 -44.99 10.17 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.631 -1.168 . . . . 0.0 108.587 179.643 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.65 HD22 ' NE ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -43.82 -31.64 0.89 Allowed 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 105.976 -1.861 . . . . 0.0 105.976 177.438 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -65.94 -63.25 1.13 Allowed 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 176.481 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.732 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 3.3 tmm_? -55.21 -37.45 67.14 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.892 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.65 ' NE ' HD22 ' A' ' 18' ' ' LEU . 2.9 mtm-85 -51.19 -32.84 25.02 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 105.507 -2.034 . . . . 0.0 105.507 176.801 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.59 ' O ' ' N ' ' A' ' 26' ' ' HIS . 22.1 m-85 -89.95 -29.67 18.34 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 176.509 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.732 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -11.19 -74.85 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.474 0 CA-C-O 121.569 0.7 . . . . 0.0 110.957 -179.254 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.407 ' O ' ' HB ' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -75.74 -41.04 54.43 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.415 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.572 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -56.56 -27.61 58.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.168 -0.958 . . . . 0.0 109.115 179.31 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.59 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.8 t60 -77.95 -43.47 29.73 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.261 -0.899 . . . . 0.0 110.373 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.1 mt -91.33 5.38 49.48 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.294 -0.879 . . . . 0.0 110.31 -178.895 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.477 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 1.3 tp -98.72 15.58 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.006 -1.059 . . . . 0.0 109.145 179.511 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.498 ' C ' ' CG ' ' A' ' 30' ' ' GLU . . . 175.37 159.54 0.23 Allowed 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.517 ' C ' HD13 ' A' ' 31' ' ' ILE . 0.1 OUTLIER 54.89 101.34 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.0 -1.063 . . . . 0.0 108.518 -179.249 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.527 ' O ' ' CG ' ' A' ' 32' ' ' HIS . 0.7 OUTLIER -125.72 107.97 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.139 -0.976 . . . . 0.0 109.244 -179.512 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 31' ' ' ILE . 12.2 p80 38.6 50.99 1.66 Allowed 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 121.327 0.584 . . . . 0.0 109.956 179.766 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.99 58.55 1.77 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.234 -0.916 . . . . 0.0 109.662 -179.836 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.423 179.981 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 1' ' ' ALA . 2.9 p -43.64 -36.27 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.289 -0.882 . . . . 0.0 109.502 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -144.73 163.99 32.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.271 -0.893 . . . . 0.0 109.595 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.7 tp10 -88.71 -69.94 0.68 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.267 -0.896 . . . . 0.0 109.256 179.86 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.503 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 5.3 m-70 -42.97 -46.69 5.53 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.339 -0.851 . . . . 0.0 109.763 -179.878 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.525 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -45.72 161.09 0.05 OUTLIER 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.101 -0.999 . . . . 0.0 108.527 179.443 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.525 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.4 OUTLIER 75.88 -50.8 0.62 Allowed 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.226 -0.921 . . . . 0.0 109.667 -179.663 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 8' ' ' LEU . 4.1 tp -59.05 -38.41 79.29 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 120.783 -1.198 . . . . 0.0 109.123 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.515 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 11.8 m170 -72.24 -69.44 0.4 Allowed 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.778 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 9' ' ' HIS . 2.7 t0 29.18 87.33 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.539 176.245 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -43.53 102.7 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.234 -0.916 . . . . 0.0 109.716 -179.689 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.448 ' H ' ' CD1' ' A' ' 15' ' ' ILE . . . 152.23 -36.93 0.81 Allowed Glycine 0 N--CA 1.488 2.161 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.618 ' N ' HD11 ' A' ' 15' ' ' ILE . 8.9 mmtt -67.99 -159.77 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.529 -0.983 . . . . 0.0 110.087 179.67 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.537 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -84.3 54.87 3.12 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 122.712 1.244 . . . . 0.0 110.774 -178.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.756 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -119.66 -50.56 3.65 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.429 0 N-CA-C 102.48 -3.155 . . . . 0.0 102.48 176.922 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.756 ' H ' HD12 ' A' ' 15' ' ' ILE . 2.9 mm-40 -61.52 -29.7 70.16 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 104.555 -2.387 . . . . 0.0 104.555 173.763 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.537 ' HB2' ' HA ' ' A' ' 14' ' ' SER . 0.9 OUTLIER -89.95 -39.94 12.68 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.092 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.616 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 2.1 tp -47.82 -28.89 2.8 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 176.791 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.53 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -70.5 -52.01 24.94 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 177.595 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.675 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 8.3 ptm180 -66.82 -27.25 67.41 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.295 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -57.84 -31.55 66.76 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 104.981 -2.229 . . . . 0.0 104.981 176.358 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.616 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 20.5 m-85 -95.41 -25.33 16.31 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.801 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.675 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -21.55 -70.56 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.653 0 CA-C-O 121.518 0.675 . . . . 0.0 110.331 -179.534 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 28' ' ' ILE . 14.0 mt -72.6 -40.49 66.51 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.151 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.8 t60 -49.92 -43.43 49.75 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.287 -0.883 . . . . 0.0 108.83 179.248 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.5 t60 -59.73 -50.92 71.97 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.347 -0.846 . . . . 0.0 109.875 179.628 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.8 mt -83.84 14.69 3.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.524 -0.735 . . . . 0.0 110.095 -179.313 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.58 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 33.3 mt -111.06 -12.54 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.048 -1.032 . . . . 0.0 109.408 179.752 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 28' ' ' ILE . . . 172.41 116.68 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.148 -0.97 . . . . 0.0 109.845 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 4.0 pt-20 -167.95 78.05 0.15 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -0.84 . . . . 0.0 109.185 179.807 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' HIS . 8.8 mm -116.67 39.95 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.236 -0.915 . . . . 0.0 109.631 -179.698 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' ILE . 2.7 t60 44.61 60.05 3.06 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.617 -0.677 . . . . 0.0 109.519 179.882 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 m -114.85 103.64 11.15 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.214 -0.929 . . . . 0.0 109.556 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.53 -179.97 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 3' ' ' SER . 7.3 p -42.74 -38.89 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.289 -0.882 . . . . 0.0 109.827 -179.8 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.466 ' N ' HG13 ' A' ' 2' ' ' VAL . 15.2 t -119.28 162.81 18.1 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.147 -0.971 . . . . 0.0 109.699 -179.755 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 5' ' ' HIS . 18.0 tp10 -83.98 -71.01 0.53 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.291 -0.881 . . . . 0.0 109.373 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.466 ' O ' ' O ' ' A' ' 6' ' ' GLN . 1.5 m-70 -42.01 -28.39 0.17 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.379 -0.825 . . . . 0.0 109.539 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -46.82 167.35 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.917 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.507 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 0.2 OUTLIER 67.87 -69.52 0.14 Allowed 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 -178.388 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 6' ' ' GLN . 10.8 tp -56.1 -45.29 79.47 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 176.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.568 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 1.9 t-80 -45.11 -78.59 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.969 178.373 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 12' ' ' GLY . 8.4 t0 -82.87 -68.36 0.71 Allowed 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.642 -0.662 . . . . 0.0 110.38 -179.243 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.507 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . 2.9 tmtp? -47.63 88.42 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.593 -0.692 . . . . 0.0 109.25 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . 144.46 -32.9 1.71 Allowed Glycine 0 N--CA 1.484 1.885 0 N-CA-C 108.615 -1.794 . . . . 0.0 108.615 -179.475 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.605 ' O ' ' O ' ' A' ' 14' ' ' SER . 47.1 mmtt -69.16 64.46 0.14 Allowed 'General case' 0 CA--C 1.487 -1.474 0 O-C-N 121.312 -1.111 . . . . 0.0 108.648 178.699 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.609 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.3 OUTLIER 41.16 100.26 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.63 -179.836 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.547 ' C ' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -33.95 -34.88 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 177.743 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.609 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -32.64 -41.53 0.06 Allowed 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.86 173.878 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.601 ' N ' ' O ' ' A' ' 14' ' ' SER . 7.4 t70 -86.37 -47.88 8.95 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.613 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' ASP . 15.9 tp -49.06 -26.72 2.81 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 177.373 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -70.76 -49.06 50.77 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.645 177.892 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.672 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 1.0 OUTLIER -58.68 -34.72 71.58 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 119.107 -1.037 . . . . 0.0 109.194 -179.36 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.548 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 1.6 mpp_? -56.54 -27.44 57.64 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 176.658 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.602 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 20.2 m-85 -96.12 -24.87 16.1 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.063 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.672 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -24.9 -82.62 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.465 0 CA-C-O 121.917 0.865 . . . . 0.0 110.071 -179.375 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.739 ' HA ' HD12 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -52.68 -38.69 60.95 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.702 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.563 ' HB2' ' HA ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -43.03 -43.62 4.36 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.376 -0.93 . . . . 0.0 109.24 179.816 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.602 ' CE1' ' HB3' ' A' ' 22' ' ' PHE . 11.8 m-70 -78.39 -54.7 5.9 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 122.197 0.999 . . . . 0.0 109.419 179.771 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.739 HD12 ' HA ' ' A' ' 24' ' ' LEU . 50.1 mt -24.53 -88.57 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.903 -177.827 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.56 HG22 ' N ' ' A' ' 29' ' ' ALA . 18.2 mm -53.9 -84.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.116 -0.99 . . . . 0.0 108.722 179.47 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.56 ' N ' HG22 ' A' ' 28' ' ' ILE . . . -63.82 91.14 0.06 Allowed 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.238 -0.914 . . . . 0.0 109.23 179.746 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.463 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 8.6 pt-20 -92.74 150.53 20.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.141 -0.975 . . . . 0.0 109.808 -179.657 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.736 ' O ' HD12 ' A' ' 31' ' ' ILE . 1.8 pp -142.68 95.57 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 CA-C-O 121.494 0.664 . . . . 0.0 109.328 -179.61 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.524 ' CG ' ' C ' ' A' ' 31' ' ' ILE . 1.3 p-80 168.34 57.02 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.255 -0.903 . . . . 0.0 109.275 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.2 m -151.32 146.56 26.1 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.24 -0.912 . . . . 0.0 109.504 -179.806 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.416 179.892 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 1' ' ' ALA . 12.5 p -42.88 156.42 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.367 -0.833 . . . . 0.0 109.711 -179.778 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.404 ' N ' HG22 ' A' ' 2' ' ' VAL . 28.9 t -50.87 153.52 1.75 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.309 -0.869 . . . . 0.0 109.556 -179.875 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -85.23 -30.91 23.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.363 -0.836 . . . . 0.0 109.719 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.464 ' O ' ' O ' ' A' ' 6' ' ' GLN . 3.4 t-80 -43.88 -35.28 1.9 Allowed 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.181 -0.95 . . . . 0.0 109.985 -179.575 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -45.65 164.79 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.443 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 0.3 OUTLIER 67.71 -68.18 0.17 Allowed 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 -177.936 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' A' ' 6' ' ' GLN . 6.1 tp -54.92 -45.7 74.8 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 105.466 -2.05 . . . . 0.0 105.466 176.529 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.634 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 1.0 OUTLIER -41.45 -82.64 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.006 178.386 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.634 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 24.9 t70 -81.09 -110.98 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.535 -0.728 . . . . 0.0 109.642 -179.409 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 35.52 31.28 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.395 -0.816 . . . . 0.0 110.503 179.751 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.763 ' CA ' HD11 ' A' ' 15' ' ' ILE . . . -148.65 -36.57 0.04 OUTLIER Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 15' ' ' ILE . 4.7 mmtm -57.48 -157.19 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.313 -1.11 . . . . 0.0 110.399 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.517 ' O ' ' HB3' ' A' ' 18' ' ' LEU . 2.0 m -67.87 62.68 0.08 Allowed 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 122.325 1.059 . . . . 0.0 111.023 -177.866 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 1.013 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -111.55 -43.8 5.09 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.181 0 N-CA-C 103.398 -2.816 . . . . 0.0 103.398 176.261 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.013 ' H ' HD12 ' A' ' 15' ' ' ILE . 3.6 mt-30 -75.01 -23.94 58.3 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 103.978 -2.601 . . . . 0.0 103.978 173.908 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.481 ' HB2' ' HA ' ' A' ' 14' ' ' SER . 0.5 OUTLIER -87.57 -37.83 16.51 Favored 'General case' 0 C--O 1.21 -0.982 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.12 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.868 HD23 ' HA ' ' A' ' 15' ' ' ILE . 1.1 pp -50.76 -26.69 5.94 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 105.712 -1.958 . . . . 0.0 105.712 177.704 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -72.47 -50.59 25.01 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.633 -1.167 . . . . 0.0 108.329 178.17 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.708 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 7.9 ptm180 -71.71 -33.12 68.49 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.239 -0.984 . . . . 0.0 108.452 179.765 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' HE ' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -53.52 -28.66 32.46 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 104.951 -2.24 . . . . 0.0 104.951 175.857 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.548 ' O ' ' C ' ' A' ' 23' ' ' PHE . 10.1 m-30 -95.51 -29.56 14.31 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.991 177.759 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.708 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -23.54 -83.55 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.419 0 CA-C-O 121.509 0.671 . . . . 0.0 110.538 -179.34 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -55.66 -45.61 77.67 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.494 -0.754 . . . . 0.0 109.192 179.841 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.536 ' CA ' ' HB3' ' A' ' 30' ' ' GLU . 1.2 m170 -50.35 -54.68 19.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.976 -1.077 . . . . 0.0 109.045 179.78 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 22' ' ' PHE . 2.5 t60 -53.36 -51.56 62.07 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.178 -0.951 . . . . 0.0 108.768 179.217 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.532 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 8.9 mt -77.65 173.65 11.81 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.722 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.532 ' CG1' ' O ' ' A' ' 27' ' ' LEU . 33.2 pt 40.55 23.36 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.306 -0.871 . . . . 0.0 110.497 -179.747 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . 62.8 160.23 0.08 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.953 -1.092 . . . . 0.0 109.894 179.543 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.536 ' HB3' ' CA ' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -134.99 63.92 1.6 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.485 -0.759 . . . . 0.0 109.174 179.849 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 31' ' ' ILE . 24.1 mm -110.0 38.26 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.322 -0.861 . . . . 0.0 109.67 -179.57 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.521 ' O ' ' CB ' ' A' ' 33' ' ' THR . 6.9 m-70 -46.18 109.63 0.2 Allowed 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.659 -0.651 . . . . 0.0 109.435 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.521 ' CB ' ' O ' ' A' ' 32' ' ' HIS . 0.4 OUTLIER 76.16 124.74 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.183 -0.948 . . . . 0.0 109.48 -179.937 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.489 179.946 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 3' ' ' SER . 10.5 p -43.77 157.88 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.189 -0.944 . . . . 0.0 109.674 -179.681 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 6' ' ' GLN . 35.5 t -67.15 148.87 51.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.346 -0.846 . . . . 0.0 109.363 179.86 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' HIS . 5.5 tt0 -86.44 -74.0 0.44 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.215 -0.928 . . . . 0.0 109.668 -179.873 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.489 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -43.5 -31.54 0.73 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.398 -0.814 . . . . 0.0 109.858 -179.575 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -47.23 169.78 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.206 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.509 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER 72.95 -63.84 0.42 Allowed 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -178.269 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 6' ' ' GLN . 13.3 tp -76.26 -38.26 56.5 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 177.667 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.542 ' O ' ' C ' ' A' ' 10' ' ' ASP . 4.4 t60 -55.5 -18.98 8.3 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.02 -179.827 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.542 ' C ' ' O ' ' A' ' 9' ' ' HIS . 6.2 t0 15.81 108.28 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.407 0.622 . . . . 0.0 112.339 178.789 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -72.38 10.66 0.74 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.1 -1.0 . . . . 0.0 111.274 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . -107.06 -9.8 29.22 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 179.369 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.571 ' N ' HD11 ' A' ' 15' ' ' ILE . 57.6 mmtt -55.21 -164.38 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.496 -1.002 . . . . 0.0 110.46 -179.854 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.91 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -82.81 53.46 2.4 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 122.647 1.213 . . . . 0.0 110.468 -178.885 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.869 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -111.41 -46.85 6.08 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.309 0 N-CA-C 102.857 -3.016 . . . . 0.0 102.857 176.713 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.869 ' H ' HD12 ' A' ' 15' ' ' ILE . 9.5 mm-40 -66.06 -27.9 68.44 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 104.318 -2.475 . . . . 0.0 104.318 173.868 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.528 ' HB2' ' HA ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -89.39 -40.55 12.66 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.054 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.91 HD23 ' O ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -48.4 -29.31 3.9 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 177.547 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.5 ttm-85 -64.29 -52.04 60.53 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.82 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.687 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -68.49 -31.82 71.36 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.886 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.665 ' NE ' HD22 ' A' ' 18' ' ' LEU . 2.0 mtm-85 -53.95 -30.55 47.21 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.094 -2.187 . . . . 0.0 105.094 176.184 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.839 ' CZ ' HD12 ' A' ' 18' ' ' LEU . 21.4 m-85 -92.85 -30.18 15.57 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.212 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.687 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -15.09 -74.14 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.534 0 CA-C-O 121.641 0.734 . . . . 0.0 111.052 -179.62 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.45 ' HA ' HD13 ' A' ' 24' ' ' LEU . 4.1 mm? -72.68 -40.13 66.52 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.537 -0.727 . . . . 0.0 109.166 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.547 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -57.68 -36.42 71.91 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.14 -0.975 . . . . 0.0 109.108 179.537 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.558 ' N ' ' O ' ' A' ' 22' ' ' PHE . 4.0 t60 -62.54 -63.49 1.21 Allowed 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.366 -0.834 . . . . 0.0 109.793 179.492 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 70.3 mt -49.28 -58.83 4.37 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.508 -0.745 . . . . 0.0 109.218 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.7 mm -72.34 -87.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.25 -0.906 . . . . 0.0 109.05 179.614 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.497 ' C ' ' CG ' ' A' ' 30' ' ' GLU . . . -53.27 166.91 0.22 Allowed 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.074 -1.016 . . . . 0.0 109.174 179.591 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.497 ' CG ' ' C ' ' A' ' 29' ' ' ALA . 1.6 pt-20 40.16 75.27 0.08 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.334 -0.853 . . . . 0.0 109.741 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -108.18 121.25 60.9 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 O-C-N 121.341 -0.849 . . . . 0.0 109.28 179.805 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 174.87 144.05 0.06 Allowed 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.809 -0.557 . . . . 0.0 109.649 179.835 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.65 118.19 23.69 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.255 -0.903 . . . . 0.0 109.497 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.47 179.862 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.274 0.559 . . . . 0.0 109.565 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.472 ' O ' ' O ' ' A' ' 3' ' ' SER . 9.3 p -43.17 159.76 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.265 -0.897 . . . . 0.0 109.519 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.472 ' O ' ' O ' ' A' ' 2' ' ' VAL . 10.6 p 37.88 93.88 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.63 -0.668 . . . . 0.0 110.311 179.643 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' SER . 30.8 tt0 -42.55 -41.79 3.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.216 -0.928 . . . . 0.0 109.686 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.504 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -45.45 -23.51 0.22 Allowed 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.274 -0.891 . . . . 0.0 110.11 -179.42 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 8' ' ' LEU . 2.1 mm-40 -49.77 175.38 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 178.808 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.508 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 70.19 -70.05 0.16 Allowed 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 -178.069 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 8' ' ' LEU . 1.2 tp -66.77 -40.04 88.08 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 105.699 -1.963 . . . . 0.0 105.699 176.508 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.616 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 10.0 t-160 -91.03 37.37 0.93 Allowed 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.413 178.802 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.485 ' OD1' ' HG2' ' A' ' 13' ' ' LYS . 6.3 t70 -34.43 94.05 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.57 -0.706 . . . . 0.0 110.626 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 9' ' ' HIS . 12.5 tptp -66.7 99.97 0.65 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.171 -0.956 . . . . 0.0 109.415 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.823 ' CA ' HD11 ' A' ' 15' ' ' ILE . . . 152.12 -30.74 0.89 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.898 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 15' ' ' ILE . 8.5 mmtt -58.23 -155.41 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.375 -1.073 . . . . 0.0 110.373 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.846 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.5 m -68.93 61.87 0.11 Allowed 'General case' 0 C--N 1.29 -1.985 0 CA-C-O 122.665 1.221 . . . . 0.0 110.777 -178.147 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 1.04 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -114.67 -41.24 3.32 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.383 0 N-CA-C 103.689 -2.708 . . . . 0.0 103.689 176.634 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.04 ' H ' HD12 ' A' ' 15' ' ' ILE . 2.0 mm-40 -74.87 -25.73 59.17 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 174.265 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -89.89 -38.38 13.75 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.416 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.846 HD23 ' O ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -49.68 -27.84 5.22 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 177.702 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.6 ttm-85 -63.77 -62.27 1.76 Allowed 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 177.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.687 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -59.89 -28.62 67.71 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 178.772 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.624 ' CZ ' ' HB3' ' A' ' 14' ' ' SER . 0.0 OUTLIER -56.3 -31.75 63.95 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 104.86 -2.274 . . . . 0.0 104.86 176.08 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.578 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 22.7 m-85 -91.82 -26.04 18.71 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 176.925 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.687 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -20.1 -71.13 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.428 0 CA-C-O 121.752 0.787 . . . . 0.0 110.057 -179.44 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.458 ' O ' HG12 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -68.2 -44.97 74.65 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.088 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 22' ' ' PHE . 3.3 t-160 -47.74 -45.83 29.37 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.096 -1.003 . . . . 0.0 108.356 179.125 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 27' ' ' LEU . 6.6 t60 -63.26 -62.51 1.64 Allowed 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.463 -0.773 . . . . 0.0 109.608 179.359 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 26' ' ' HIS . 70.7 mt -42.57 -39.2 2.23 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.514 -0.741 . . . . 0.0 109.307 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 24' ' ' LEU . 31.2 mm -85.41 -74.58 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.256 -0.903 . . . . 0.0 108.99 179.553 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 25' ' ' HIS . . . -73.67 119.58 18.08 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.226 -0.921 . . . . 0.0 109.259 179.724 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -177.99 70.59 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.117 -0.989 . . . . 0.0 109.588 -179.879 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 33' ' ' THR . 0.8 OUTLIER -115.72 118.08 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.383 -0.823 . . . . 0.0 109.23 179.798 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.22 87.05 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.467 -0.771 . . . . 0.0 109.756 -179.762 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.669 ' O ' HG22 ' A' ' 33' ' ' THR . 97.6 m -101.62 51.43 0.84 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.205 -0.934 . . . . 0.0 109.2 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 118.02 -0.991 . . . . 0.0 109.46 -179.983 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 1' ' ' ALA . 2.4 p -42.71 141.55 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.365 -0.834 . . . . 0.0 109.529 -179.919 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.454 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -142.77 171.62 13.81 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.337 -0.852 . . . . 0.0 109.164 179.937 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.09 -42.12 63.35 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.112 -0.993 . . . . 0.0 109.201 179.877 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 9' ' ' HIS . 1.6 m-70 -52.48 -19.03 1.95 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.321 -0.862 . . . . 0.0 109.939 -179.909 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -47.32 170.4 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 179.016 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.467 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER 69.32 -68.62 0.18 Allowed 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 -177.982 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.802 HD12 ' O ' ' A' ' 8' ' ' LEU . 1.4 tp -64.73 -32.81 74.65 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 105.488 -2.041 . . . . 0.0 105.488 176.321 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.636 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 9.9 t-160 -90.61 35.49 0.88 Allowed 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.5 179.249 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.541 ' C ' ' O ' ' A' ' 9' ' ' HIS . 21.6 t0 -25.81 124.46 0.06 Allowed 'General case' 0 N--CA 1.499 2.017 0 CA-C-O 121.231 0.538 . . . . 0.0 110.728 179.714 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.84 13.78 2.49 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.212 -0.93 . . . . 0.0 110.538 -179.332 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . -108.47 -15.97 12.85 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 179.761 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.901 ' HB2' HD11 ' A' ' 15' ' ' ILE . 15.3 mmtp -55.4 -164.09 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.462 -1.022 . . . . 0.0 110.26 -179.876 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.905 ' C ' HD13 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -69.34 60.95 0.13 Allowed 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 122.448 1.118 . . . . 0.0 111.076 -178.129 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.905 HD13 ' C ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -118.31 -48.7 3.84 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.138 0 N-CA-C 102.539 -3.134 . . . . 0.0 102.539 176.733 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -63.17 -31.86 73.11 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 173.839 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.526 ' HA ' ' HB2' ' A' ' 20' ' ' ARG . 19.9 t0 -85.94 -39.26 17.11 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.447 179.692 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.621 HD22 ' HE ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -52.57 -23.33 6.19 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 104.964 -2.235 . . . . 0.0 104.964 175.712 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -90.94 -63.01 1.33 Allowed 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.398 -1.274 . . . . 0.0 108.191 178.212 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.693 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -50.39 -23.12 2.18 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -179.864 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.621 ' HE ' HD22 ' A' ' 18' ' ' LEU . 6.7 mtm-85 -61.61 -44.06 97.7 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 105.18 -2.155 . . . . 0.0 105.18 177.185 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.577 ' HA ' ' HB2' ' A' ' 25' ' ' HIS . 46.8 m-85 -82.92 -19.58 37.02 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 177.495 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.693 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -27.07 -70.53 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.293 0 CA-C-O 121.504 0.669 . . . . 0.0 110.679 -179.193 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.525 ' HA ' HD13 ' A' ' 24' ' ' LEU . 3.1 mm? -69.77 -40.69 75.91 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.556 -0.715 . . . . 0.0 109.599 -179.773 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.577 ' HB2' ' HA ' ' A' ' 22' ' ' PHE . 7.8 m-70 -56.39 -42.78 78.48 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.116 -0.99 . . . . 0.0 109.31 -179.906 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.425 ' HA ' ' HB3' ' A' ' 30' ' ' GLU . 1.1 t60 -54.47 -72.78 0.06 Allowed 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.111 -0.993 . . . . 0.0 109.657 179.898 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 27' ' ' LEU . 7.8 mt -55.07 -26.95 41.18 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.495 -0.753 . . . . 0.0 109.5 -179.902 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.713 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 73.1 mt -113.1 85.12 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.201 179.736 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 28' ' ' ILE . . . 77.91 71.22 0.05 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.379 -0.826 . . . . 0.0 109.3 -179.776 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.425 ' HB3' ' HA ' ' A' ' 26' ' ' HIS . 2.9 pt-20 -85.48 107.98 17.69 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.36 -0.837 . . . . 0.0 109.607 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.485 HD13 ' N ' ' A' ' 31' ' ' ILE . 2.0 mm -95.11 110.12 23.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.311 -0.868 . . . . 0.0 109.365 179.895 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.58 ' O ' ' CG ' ' A' ' 32' ' ' HIS . 4.6 p80 -56.1 105.66 0.21 Allowed 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.468 -0.77 . . . . 0.0 109.602 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.532 HG22 ' H ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER 46.75 -171.66 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.132 -0.98 . . . . 0.0 109.456 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.532 ' H ' HG22 ' A' ' 33' ' ' THR . . . . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.352 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.502 ' O ' HG12 ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 2' ' ' VAL . 0.4 OUTLIER 52.03 18.7 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 O-C-N 121.159 -0.963 . . . . 0.0 109.667 179.503 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 3.3 t -51.81 161.51 0.54 Allowed 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.425 -0.797 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -51.04 -37.65 46.68 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.16 -0.963 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -49.51 -26.42 3.42 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.418 -0.801 . . . . 0.0 110.207 -179.568 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -47.56 172.65 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.377 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 69.33 -62.84 0.4 Allowed 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 -178.464 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 6' ' ' GLN . 19.1 tp -77.61 -33.18 53.8 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 177.533 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.553 ' N ' ' O ' ' A' ' 5' ' ' HIS . 8.6 t-80 -75.62 -4.81 42.18 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.517 ' C ' ' O ' ' A' ' 9' ' ' HIS . 5.9 t0 24.12 -88.77 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.146 0.498 . . . . 0.0 111.77 178.77 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 9' ' ' HIS . 1.1 tptm 36.22 30.35 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.589 -0.694 . . . . 0.0 110.697 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.754 ' N ' HD11 ' A' ' 15' ' ' ILE . . . -143.04 -37.32 0.08 OUTLIER Glycine 0 N--CA 1.489 2.17 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 179.244 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.462 ' HG2' ' OD1' ' A' ' 10' ' ' ASP . 29.6 mmtt -59.52 -165.45 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.397 -1.061 . . . . 0.0 110.797 -179.704 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.622 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -72.69 58.95 0.45 Allowed 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 122.51 1.148 . . . . 0.0 111.061 -177.996 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.862 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -114.64 -46.91 4.77 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.278 0 N-CA-C 102.183 -3.266 . . . . 0.0 102.183 176.135 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.862 ' H ' HD12 ' A' ' 15' ' ' ILE . 94.3 mt-30 -64.81 -28.73 69.77 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 104.253 -2.499 . . . . 0.0 104.253 173.672 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.548 ' O ' ' N ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -89.68 -38.0 14.19 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.625 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.796 HD11 ' CZ ' ' A' ' 22' ' ' PHE . 12.8 tp -48.3 -28.71 3.28 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 177.11 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.475 ' HB3' ' O ' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -70.19 -50.93 35.15 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 177.623 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.599 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -73.46 -4.83 36.16 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 178.171 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.622 ' CZ ' ' HB3' ' A' ' 14' ' ' SER . 2.5 mtt-85 -82.48 -36.36 26.55 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 104.255 -2.498 . . . . 0.0 104.255 176.468 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.796 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 20.2 m-85 -86.42 -22.69 26.4 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 176.299 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.599 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -19.43 -75.72 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 CA-C-O 121.512 0.672 . . . . 0.0 110.682 179.88 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.484 ' O ' ' HB ' ' A' ' 28' ' ' ILE . 1.3 mt -72.72 -35.14 67.51 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.21 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 22' ' ' PHE . 35.9 t-80 -55.59 -37.26 67.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.326 -0.859 . . . . 0.0 109.255 179.657 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.1 t60 -67.08 -61.37 1.96 Allowed 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.334 -0.854 . . . . 0.0 110.187 -179.856 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mt -71.29 -14.17 62.13 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.425 -0.797 . . . . 0.0 110.291 -179.131 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.713 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 47.7 mm -116.92 49.38 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.887 -1.133 . . . . 0.0 109.866 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 28' ' ' ILE . . . 162.08 -179.1 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.34 -0.85 . . . . 0.0 109.545 179.725 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.614 ' O ' HD13 ' A' ' 31' ' ' ILE . 0.3 OUTLIER 50.11 73.0 0.29 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.273 -0.892 . . . . 0.0 109.196 -179.918 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.614 HD13 ' O ' ' A' ' 30' ' ' GLU . 17.6 mm -144.57 44.19 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.436 -0.79 . . . . 0.0 108.913 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' ILE . 3.2 m-70 -38.17 105.37 0.04 OUTLIER 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.329 0.585 . . . . 0.0 110.161 -179.577 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.01 67.23 0.67 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.364 -0.835 . . . . 0.0 109.266 179.884 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.435 179.886 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 3' ' ' SER . 2.9 p -43.26 158.51 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.228 -0.92 . . . . 0.0 109.663 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.487 ' OG ' ' N ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -87.2 -172.33 3.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.218 -0.926 . . . . 0.0 109.407 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.487 ' N ' ' OG ' ' A' ' 3' ' ' SER . 1.4 tt0 -100.15 -62.5 1.23 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.3 -0.875 . . . . 0.0 109.839 -179.758 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.464 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -61.73 -9.87 7.42 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.369 -0.832 . . . . 0.0 110.633 -179.229 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.04 20.14 1.96 Allowed 'General case' 0 C--N 1.306 -1.289 0 O-C-N 120.946 -1.096 . . . . 0.0 110.446 -179.847 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.5 -68.46 0.8 Allowed 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 178.625 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.0 tp -62.68 -44.11 97.09 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 178.05 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.52 ' O ' ' C ' ' A' ' 10' ' ' ASP . 3.7 t-80 -52.71 -52.62 55.41 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.823 -0.548 . . . . 0.0 110.131 -179.785 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.549 ' O ' ' N ' ' A' ' 12' ' ' GLY . 19.2 t0 28.79 -99.94 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.147 0 O-C-N 121.943 -0.473 . . . . 0.0 111.013 179.251 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER 33.54 32.26 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.621 -0.675 . . . . 0.0 110.473 179.574 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . -142.16 -33.89 0.11 Allowed Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.763 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.605 ' N ' HD11 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -55.11 -163.42 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.365 -1.079 . . . . 0.0 109.956 179.881 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.489 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -77.56 59.8 2.01 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 118.157 -1.417 . . . . 0.0 110.893 -178.488 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.893 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -121.29 -48.22 2.82 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.269 0 N-CA-C 102.729 -3.063 . . . . 0.0 102.729 176.623 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.893 ' H ' HD12 ' A' ' 15' ' ' ILE . 11.9 mm100 -66.39 -28.31 68.53 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 104.6 -2.37 . . . . 0.0 104.6 174.022 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.519 ' O ' ' N ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -90.31 -37.38 14.1 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 179.143 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.618 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 3.4 tp -50.04 -27.5 5.64 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 176.837 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.5 ttm-85 -71.43 -57.69 4.21 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 177.532 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.637 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -64.44 -11.94 38.45 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 179.356 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -74.71 -33.93 62.49 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 104.586 -2.376 . . . . 0.0 104.586 176.146 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.618 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 23.7 m-85 -90.94 -22.69 20.73 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 176.813 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.637 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -20.61 -69.97 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.427 0 CA-C-O 121.69 0.757 . . . . 0.0 110.578 179.903 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.83 ' HA ' HD11 ' A' ' 27' ' ' LEU . 3.8 mt -76.75 -33.97 58.08 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.557 -0.715 . . . . 0.0 109.287 179.901 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -69.1 -13.71 62.59 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.126 -0.984 . . . . 0.0 110.368 -179.761 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.57 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -87.5 -64.27 1.17 Allowed 'General case' 0 C--N 1.307 -1.255 0 O-C-N 120.971 -1.08 . . . . 0.0 111.265 -178.913 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.83 HD11 ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -67.05 -1.78 4.62 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.266 -0.896 . . . . 0.0 111.281 -178.273 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.721 HG23 ' O ' ' A' ' 24' ' ' LEU . 2.4 pp -96.1 3.17 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 120.636 -1.29 . . . . 0.0 109.634 179.353 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 28' ' ' ILE . . . 172.08 82.55 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.077 -1.014 . . . . 0.0 109.774 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -129.05 50.37 2.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.28 -0.888 . . . . 0.0 109.061 179.708 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 mt -81.16 122.14 35.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.415 -0.803 . . . . 0.0 109.443 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.18 54.09 1.95 Allowed 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.668 -0.645 . . . . 0.0 109.659 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.3 p -122.71 115.29 21.82 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.258 -0.902 . . . . 0.0 109.481 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.487 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.453 HG22 ' N ' ' A' ' 3' ' ' SER . 2.6 p . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 121.267 0.556 . . . . 0.0 109.641 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.453 ' N ' HG22 ' A' ' 2' ' ' VAL . 1.3 p -105.25 -173.72 2.37 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.215 -0.928 . . . . 0.0 109.384 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -81.87 -68.67 0.68 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.253 -0.905 . . . . 0.0 109.409 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -46.77 -28.3 1.49 Allowed 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.316 -0.865 . . . . 0.0 109.933 -179.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -48.9 172.52 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 178.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.452 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER 69.16 -69.88 0.15 Allowed 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 106.43 -1.693 . . . . 0.0 106.43 -177.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 8' ' ' LEU . 1.9 tp -64.01 -32.8 74.47 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 176.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.616 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 11.9 t-80 -98.69 45.21 1.01 Allowed 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.6 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.55 ' O ' ' N ' ' A' ' 12' ' ' GLY . 8.7 t0 -25.77 -47.11 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.931 -0.481 . . . . 0.0 110.965 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 9' ' ' HIS . 2.3 mmtm -43.92 93.41 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.438 -0.789 . . . . 0.0 109.134 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . 151.11 -36.16 0.89 Allowed Glycine 0 N--CA 1.487 2.058 0 N-CA-C 108.809 -1.716 . . . . 0.0 108.809 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' A' ' 12' ' ' GLY . 12.6 mmtt . . . . . 0 N--CA 1.485 1.293 0 O-C-N 121.296 -1.12 . . . . 0.0 109.919 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.454 ' HA ' HD22 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -49.59 -27.53 4.63 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 177.65 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -66.83 -49.16 66.65 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.188 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.635 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -65.68 -11.86 48.65 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.763 0.792 . . . . 0.0 109.049 179.67 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -31.61 53.89 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 176.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.556 ' O ' ' N ' ' A' ' 26' ' ' HIS . 25.4 m-85 -92.46 -22.78 19.41 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 177.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.635 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -18.67 -75.94 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.441 0 CA-C-O 121.537 0.684 . . . . 0.0 110.677 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 24' ' ' LEU . 3.6 mp -73.32 -35.28 66.03 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 22' ' ' PHE . 5.2 t60 -56.46 -31.97 64.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.903 . . . . 0.0 109.141 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.7 t60 . . . . . 0 C--N 1.307 -1.258 0 O-C-N 121.321 -0.862 . . . . 0.0 110.285 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 p -49.63 138.43 14.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.219 -0.925 . . . . 0.0 109.458 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.1 tt0 -85.06 -39.4 18.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.31 -0.869 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.477 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -43.49 -39.21 3.23 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.456 -0.778 . . . . 0.0 109.758 -179.686 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -45.43 159.45 0.06 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.166 -0.959 . . . . 0.0 108.619 179.493 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.533 HD23 ' HE2' ' A' ' 13' ' ' LYS . 0.4 OUTLIER 75.3 -50.02 0.64 Allowed 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.14 -0.975 . . . . 0.0 109.691 -179.555 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 8' ' ' LEU . 14.3 tp -64.44 -8.9 15.15 Favored 'General case' 0 C--N 1.309 -1.154 0 O-C-N 120.949 -1.094 . . . . 0.0 109.985 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.549 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 10.2 m170 -78.5 -38.41 40.84 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 122.958 1.361 . . . . 0.0 107.715 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.482 ' HB3' ' O ' ' A' ' 7' ' ' LEU . 1.6 t70 -37.25 93.17 0.01 OUTLIER 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.577 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -48.2 110.52 0.34 Allowed 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.066 -1.021 . . . . 0.0 108.973 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 148.27 -35.93 1.13 Allowed Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.467 -1.853 . . . . 0.0 108.467 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.533 ' HE2' HD23 ' A' ' 7' ' ' LEU . 6.5 mmtt . . . . . 0 C--N 1.305 -1.352 0 O-C-N 121.51 -0.994 . . . . 0.0 109.389 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.603 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 14.0 tp -49.76 -27.66 5.2 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 177.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -70.4 -43.58 69.73 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 177.565 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.676 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -77.66 -23.46 49.65 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.274 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.46 ' HB2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -62.26 -30.43 71.11 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 104.375 -2.454 . . . . 0.0 104.375 175.732 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.603 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 21.6 m-85 -92.17 -28.65 16.93 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 177.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.676 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -22.62 -73.97 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.412 0 CA-C-O 121.602 0.715 . . . . 0.0 110.562 -179.397 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.45 -38.93 88.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.506 -0.747 . . . . 0.0 109.199 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.511 ' HB2' ' HA ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -55.36 -45.2 76.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.251 -0.905 . . . . 0.0 109.451 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.7 t60 . . . . . 0 C--N 1.304 -1.404 0 O-C-N 121.135 -0.978 . . . . 0.0 110.527 -179.914 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.593 HG13 ' H ' ' A' ' 3' ' ' SER . 2.1 p . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 121.116 0.484 . . . . 0.0 109.842 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.593 ' H ' HG13 ' A' ' 2' ' ' VAL . 12.4 t -116.84 167.16 11.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.187 -0.946 . . . . 0.0 109.686 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -92.45 -53.77 4.07 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.352 -0.843 . . . . 0.0 109.446 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.489 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.9 OUTLIER -45.26 -53.43 8.37 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.467 -0.771 . . . . 0.0 109.965 -179.553 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -45.32 162.37 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.498 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.517 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.4 OUTLIER 76.83 -49.39 0.55 Allowed 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.148 -0.97 . . . . 0.0 109.431 -179.335 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.726 HD12 ' O ' ' A' ' 8' ' ' LEU . 5.0 tp -63.99 -37.78 88.69 Favored 'General case' 0 C--N 1.313 -1.005 0 O-C-N 120.804 -1.185 . . . . 0.0 109.46 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.539 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 10.6 m170 -82.94 -35.98 25.56 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 122.993 1.378 . . . . 0.0 107.848 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.603 ' HA ' ' CD ' ' A' ' 13' ' ' LYS . 0.8 OUTLIER -55.37 -20.62 12.43 Favored 'General case' 0 C--N 1.282 -2.356 0 CA-C-N 114.024 -1.444 . . . . 0.0 110.223 179.688 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.61 3.72 10.9 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.281 -0.887 . . . . 0.0 109.449 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -114.14 -1.53 23.67 Favored Glycine 0 N--CA 1.486 1.967 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.603 ' CD ' ' HA ' ' A' ' 10' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.483 1.192 0 O-C-N 121.006 -1.291 . . . . 0.0 109.815 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.512 ' OD1' ' CD ' ' A' ' 20' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.82 HD12 ' CE2' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -49.72 -29.44 7.57 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 177.36 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.542 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -64.16 -49.81 70.62 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.348 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.689 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 5.1 ptm180 -67.5 -33.0 74.19 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.587 ' HD2' HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -53.55 -29.21 35.93 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 176.31 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.82 ' CE2' HD12 ' A' ' 18' ' ' LEU . 21.9 m-85 -97.3 -27.3 14.57 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.689 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -21.76 -66.43 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.437 0 CA-C-O 121.483 0.659 . . . . 0.0 110.713 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mp -78.29 -40.67 36.17 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.468 -0.77 . . . . 0.0 109.523 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -58.49 -28.21 65.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.08 -1.013 . . . . 0.0 109.282 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.545 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.307 -1.264 0 O-C-N 121.191 -0.943 . . . . 0.0 109.928 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -95.58 135.25 37.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.23 -0.919 . . . . 0.0 109.433 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -54.76 -32.0 59.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.323 -0.861 . . . . 0.0 109.69 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.417 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -58.09 -11.75 2.83 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.384 -0.823 . . . . 0.0 110.655 -179.161 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.2 32.87 0.61 Allowed 'General case' 0 N--CA 1.485 1.284 0 O-C-N 120.914 -1.116 . . . . 0.0 110.148 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.491 HD23 ' HB2' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -119.77 -69.95 0.82 Allowed 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 179.438 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.93 HD13 ' N ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -56.46 -43.23 79.35 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.079 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.93 ' N ' HD13 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -44.05 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.525 0.679 . . . . 0.0 109.695 178.391 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.609 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 7.3 t70 -63.55 -14.18 48.7 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.47 -0.768 . . . . 0.0 110.108 -178.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 10' ' ' ASP . 4.0 tmtp? 38.35 28.54 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.498 -0.751 . . . . 0.0 110.417 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . -144.0 11.25 2.09 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.535 ' HG2' ' HB3' ' A' ' 10' ' ' ASP . 5.4 mmtp . . . . . 0 C--N 1.305 -1.351 0 O-C-N 121.382 -1.069 . . . . 0.0 110.078 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.637 HD22 ' HD2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -49.61 -28.81 6.19 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 105.663 -1.977 . . . . 0.0 105.663 177.018 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -69.1 -58.95 3.39 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.821 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.627 ' HA ' ' CD2' ' A' ' 23' ' ' PHE . 9.1 ptm180 -59.76 -18.59 44.4 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.637 ' HD2' HD22 ' A' ' 18' ' ' LEU . 1.6 mtm-85 -70.65 -31.27 68.13 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 105.458 -2.053 . . . . 0.0 105.458 176.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 23.5 m-85 -95.68 -20.12 19.17 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 177.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.627 ' CD2' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -21.45 -79.59 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.479 0 CA-C-O 121.71 0.767 . . . . 0.0 110.302 -179.134 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.99 -32.74 73.35 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 22' ' ' PHE . 5.5 t-160 -57.61 -41.04 80.47 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 118.864 -1.135 . . . . 0.0 109.073 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.4 t60 . . . . . 0 C--N 1.306 -1.288 0 O-C-N 121.239 -0.913 . . . . 0.0 110.079 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 121.22 0.534 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -136.55 175.14 9.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.306 -0.871 . . . . 0.0 109.285 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.404 ' N ' ' OG ' ' A' ' 3' ' ' SER . 3.3 tp10 -73.91 -59.57 2.66 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.207 -0.933 . . . . 0.0 109.505 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.486 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.5 OUTLIER -48.57 -25.41 1.71 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.246 -0.909 . . . . 0.0 109.865 -179.714 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -48.66 172.1 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 179.039 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 70.95 -66.96 0.27 Allowed 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 -178.304 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.0 tp -69.38 -34.97 75.32 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 176.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 11.4 t-80 -80.26 5.52 14.45 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.818 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.552 ' O ' ' C ' ' A' ' 11' ' ' LYS . 4.6 t70 21.5 -94.53 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.373 0 O-C-N 122.219 -0.3 . . . . 0.0 111.578 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER 22.9 87.55 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 121.043 0.449 . . . . 0.0 110.892 179.783 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 136.33 -29.45 2.8 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.479 ' HB2' ' OD1' ' A' ' 10' ' ' ASP . 7.2 mmmt . . . . . 0 CA--C 1.491 -1.313 0 O-C-N 121.659 -0.907 . . . . 0.0 109.25 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.471 ' C ' ' N ' ' A' ' 19' ' ' ARG . 53.1 m-20 . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 17' ' ' ASP . 42.5 tp -48.48 -26.92 2.37 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 177.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -71.67 -48.89 44.49 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.457 177.849 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.667 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -63.2 -12.57 29.22 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.21 -0.996 . . . . 0.0 109.044 -179.72 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.04 -33.9 63.9 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 176.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.535 ' O ' ' C ' ' A' ' 23' ' ' PHE . 55.4 m-85 -91.31 -21.83 20.85 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.667 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -23.47 -77.32 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.339 0 CA-C-O 121.64 0.733 . . . . 0.0 110.141 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.48 -38.72 91.99 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' PHE . 7.9 t60 -52.67 -40.76 63.18 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.051 -1.03 . . . . 0.0 109.011 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.9 t60 . . . . . 0 C--N 1.305 -1.339 0 O-C-N 121.242 -0.911 . . . . 0.0 110.09 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 2' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 121.338 0.589 . . . . 0.0 110.176 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -51.47 168.2 0.08 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.328 -0.858 . . . . 0.0 109.282 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.588 ' HA ' HD12 ' A' ' 7' ' ' LEU . 1.5 tp10 -72.52 -64.26 0.99 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.233 -0.917 . . . . 0.0 109.608 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -48.62 -20.68 0.48 Allowed 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.35 -0.844 . . . . 0.0 110.279 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.487 ' O ' ' HA ' ' A' ' 10' ' ' ASP . 1.1 mt-30 -84.52 18.29 2.35 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.024 -1.048 . . . . 0.0 110.32 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 4' ' ' GLU . 2.0 mt -94.21 -66.73 0.9 Allowed 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 178.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 8' ' ' LEU . 6.2 tp -62.74 -45.09 94.32 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 177.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.662 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 8.3 t-160 -88.2 38.42 0.85 Allowed 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 121.722 0.772 . . . . 0.0 109.245 178.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.493 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 13.4 t70 -40.06 88.98 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.188 -0.945 . . . . 0.0 110.625 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 9' ' ' HIS . 2.5 tptt -53.7 100.46 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.992 -1.068 . . . . 0.0 109.175 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.07 -13.61 0.47 Allowed Glycine 0 N--CA 1.491 2.358 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.314 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.493 ' HD2' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.327 0 O-C-N 120.969 -1.312 . . . . 0.0 109.142 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.508 ' OD2' ' NE ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.552 HD12 ' HE ' ' A' ' 21' ' ' ARG . 13.5 tp -51.47 -26.77 8.82 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 105.701 -1.962 . . . . 0.0 105.701 177.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -66.94 -48.09 69.66 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.661 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -63.47 -33.51 75.72 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.078 -1.049 . . . . 0.0 108.362 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.552 ' HE ' HD12 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -53.33 -29.52 34.33 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 176.555 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.568 ' O ' ' N ' ' A' ' 26' ' ' HIS . 22.5 m-85 -95.2 -28.93 14.79 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 177.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.661 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -20.95 -60.04 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.429 0 CA-C-O 121.685 0.755 . . . . 0.0 110.328 -179.448 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 mt -76.78 -46.02 26.68 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 22' ' ' PHE . 3.6 m-70 -62.52 -14.04 37.39 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.053 -1.029 . . . . 0.0 109.378 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.568 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.8 t60 . . . . . 0 C--N 1.303 -1.427 0 O-C-N 121.4 -0.812 . . . . 0.0 110.437 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.584 HG13 ' N ' ' A' ' 3' ' ' SER . 7.1 p . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 121.268 0.556 . . . . 0.0 109.521 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.584 ' N ' HG13 ' A' ' 2' ' ' VAL . 86.0 p -74.91 154.51 38.15 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.211 -0.931 . . . . 0.0 109.297 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 5' ' ' HIS . 1.1 tt0 -54.14 -97.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.177 -0.952 . . . . 0.0 109.726 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.561 ' ND1' ' NE2' ' A' ' 9' ' ' HIS . 1.0 OUTLIER -82.82 -28.21 30.35 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.188 -0.945 . . . . 0.0 109.931 -179.546 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.5 ' HB2' ' HB2' ' A' ' 3' ' ' SER . 1.6 mm100 -43.62 163.46 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.298 -0.877 . . . . 0.0 108.788 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 73.11 -52.05 0.71 Allowed 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.986 -1.071 . . . . 0.0 109.434 -179.371 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.483 ' HB3' ' O ' ' A' ' 5' ' ' HIS . 30.1 tp -64.02 -29.84 70.96 Favored 'General case' 0 C--N 1.309 -1.157 0 O-C-N 120.794 -1.191 . . . . 0.0 109.924 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.573 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 10.0 m170 -99.68 -30.7 11.95 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 122.656 1.217 . . . . 0.0 108.011 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -33.26 104.2 0.03 OUTLIER 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 114.406 -1.27 . . . . 0.0 110.958 178.528 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -62.43 111.24 1.94 Allowed 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.129 -0.982 . . . . 0.0 109.678 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.21 -18.29 3.51 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 7' ' ' LEU . 1.4 mmtp . . . . . 0 CA--C 1.481 -1.698 0 O-C-N 121.811 -0.817 . . . . 0.0 109.621 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.479 ' C ' ' N ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.542 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 1.6 mm? -46.68 -27.85 1.31 Allowed 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 177.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -66.63 -54.01 27.97 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 177.736 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.64 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 2.7 ptm180 -57.82 -30.66 65.91 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.591 -0.844 . . . . 0.0 109.257 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.461 ' HD2' ' HG ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -58.43 -29.79 66.4 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 105.506 -2.035 . . . . 0.0 105.506 176.652 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.547 ' O ' ' C ' ' A' ' 23' ' ' PHE . 26.8 m-85 -96.51 -23.57 16.49 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.64 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -22.71 -78.74 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.501 0 CA-C-O 121.525 0.678 . . . . 0.0 110.148 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.8 mp -64.64 -37.47 87.7 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.511 -0.743 . . . . 0.0 109.061 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 22' ' ' PHE . 2.1 t-160 -54.76 -43.36 72.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.143 -0.973 . . . . 0.0 109.209 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 22' ' ' PHE . 2.0 t60 . . . . . 0 C--N 1.305 -1.343 0 O-C-N 121.37 -0.832 . . . . 0.0 110.038 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 3' ' ' SER . 37.9 t . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.167 0.508 . . . . 0.0 109.783 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.489 ' N ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -46.1 119.48 2.31 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.287 -0.883 . . . . 0.0 109.1 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 6' ' ' GLN . 9.0 tm-20 -53.67 -43.52 68.93 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 0.0 109.483 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 9' ' ' HIS . 0.4 OUTLIER -45.29 -22.87 0.14 Allowed 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.39 -0.819 . . . . 0.0 110.331 -179.48 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 8' ' ' LEU . 4.2 mm-40 -47.67 171.8 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.458 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 69.48 -70.22 0.15 Allowed 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 -177.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.673 HD12 ' O ' ' A' ' 8' ' ' LEU . 4.0 tp -65.63 -31.49 72.54 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 176.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.61 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 10.7 t-160 -98.22 41.37 1.13 Allowed 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.731 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 9' ' ' HIS . 9.1 t0 -30.02 147.61 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 121.281 0.562 . . . . 0.0 110.569 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.05 30.93 0.65 Allowed 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.113 -0.992 . . . . 0.0 109.97 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.471 ' O ' ' HD3' ' A' ' 13' ' ' LYS . . . -137.66 11.35 3.72 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 12' ' ' GLY . 24.8 mmtp . . . . . 0 C--N 1.306 -1.291 0 O-C-N 121.351 -1.088 . . . . 0.0 110.435 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.48 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 3.0 t70 . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 1.131 HD22 ' CZ ' ' A' ' 22' ' ' PHE . 2.7 mt -54.07 -33.75 58.31 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 177.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.553 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -57.03 -41.13 78.02 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 114.606 -1.179 . . . . 0.0 108.134 178.002 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.667 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -84.37 -26.0 28.71 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.503 ' HB2' ' HA ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -65.94 -29.51 69.93 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 104.723 -2.325 . . . . 0.0 104.723 175.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 1.131 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 19.3 m-85 -95.73 -21.18 18.33 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.667 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -24.11 -69.05 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.315 0 CA-C-O 121.523 0.678 . . . . 0.0 110.54 -179.372 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.741 HD22 ' H ' ' A' ' 24' ' ' LEU . 1.3 mm? -75.43 -37.23 60.54 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.552 -0.717 . . . . 0.0 109.434 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -67.19 -12.73 60.82 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.042 -1.036 . . . . 0.0 110.248 -179.412 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.571 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.305 -1.336 0 O-C-N 121.025 -1.047 . . . . 0.0 110.904 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 3' ' ' SER . 3.4 p . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.204 0.526 . . . . 0.0 109.749 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.434 ' O ' HG22 ' A' ' 2' ' ' VAL . 8.1 t -77.86 173.95 11.56 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.252 -0.905 . . . . 0.0 109.338 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 5' ' ' HIS . 1.0 OUTLIER -71.24 -71.06 0.28 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.24 -0.913 . . . . 0.0 109.302 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.472 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -44.21 -34.13 1.78 Allowed 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.275 -0.891 . . . . 0.0 109.535 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.518 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -44.92 160.53 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.435 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.518 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER 74.47 -51.66 0.68 Allowed 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.098 -1.001 . . . . 0.0 109.625 -179.683 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.764 HD12 ' O ' ' A' ' 8' ' ' LEU . 6.8 tp -64.88 -14.22 58.95 Favored 'General case' 0 C--N 1.311 -1.101 0 O-C-N 120.859 -1.15 . . . . 0.0 110.0 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.514 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 11.3 m170 -70.61 -28.97 65.25 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 122.801 1.286 . . . . 0.0 107.731 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.0 OUTLIER -39.62 -28.98 0.05 OUTLIER 'General case' 0 C--N 1.283 -2.32 0 CA-C-N 114.246 -1.343 . . . . 0.0 110.113 178.031 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -42.69 91.37 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.53 -0.731 . . . . 0.0 109.519 -179.553 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . 163.42 -28.22 0.23 Allowed Glycine 0 N--CA 1.485 1.953 0 N-CA-C 108.459 -1.856 . . . . 0.0 108.459 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 12' ' ' GLY . 66.4 mmtt . . . . . 0 C--N 1.308 -1.222 0 O-C-N 121.536 -0.979 . . . . 0.0 109.836 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.207 -1.179 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.58 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -50.5 -29.52 10.7 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 105.724 -1.954 . . . . 0.0 105.724 177.173 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.507 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.5 ttm-85 -67.83 -63.33 1.08 Allowed 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.72 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 21.7 ttm-85 -55.74 -33.93 64.71 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 17' ' ' ASP . 0.7 OUTLIER -52.14 -34.66 45.56 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 105.337 -2.097 . . . . 0.0 105.337 176.771 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.602 ' O ' ' N ' ' A' ' 26' ' ' HIS . 23.7 m-85 -90.17 -28.13 19.11 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 177.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.72 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -11.27 -75.9 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.387 0 CA-C-O 121.508 0.67 . . . . 0.0 111.367 -179.19 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.86 -31.82 31.38 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.575 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.1 m170 -63.47 -21.78 66.51 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.155 -0.965 . . . . 0.0 109.18 179.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.602 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.1 t60 . . . . . 0 N--CA 1.481 1.084 0 O-C-N 121.084 -1.01 . . . . 0.0 110.422 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 121.313 0.578 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.483 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -87.59 146.61 25.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.206 -0.934 . . . . 0.0 109.449 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.6 tm-20 -61.66 -65.92 0.62 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.246 -0.908 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.489 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -43.51 -38.45 2.9 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.382 -0.824 . . . . 0.0 109.641 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 1.2 mm-40 -45.51 159.09 0.07 Allowed 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.148 -0.97 . . . . 0.0 108.691 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.513 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER 75.35 -51.84 0.65 Allowed 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.182 -0.948 . . . . 0.0 109.577 -179.696 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.909 ' O ' HD13 ' A' ' 8' ' ' LEU . 2.5 tm? -61.03 -18.65 58.93 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 120.929 -1.107 . . . . 0.0 109.744 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.555 ' O ' ' N ' ' A' ' 11' ' ' LYS . 12.0 m170 -64.29 -69.95 0.25 Allowed 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.592 ' O ' ' C ' ' A' ' 11' ' ' LYS . 4.3 t0 28.02 -88.27 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.596 176.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.4 OUTLIER 1.37 83.95 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.324 0 CA-C-O 121.374 0.607 . . . . 0.0 111.591 179.62 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.74 -21.04 2.18 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 108.416 -1.874 . . . . 0.0 108.416 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt . . . . . 0 CA--C 1.482 -1.635 0 O-C-N 121.761 -0.847 . . . . 0.0 109.075 178.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.545 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 6.4 t0 . . . . . 0 N--CA 1.486 1.35 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.572 HD12 ' CE2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -47.63 -27.27 1.8 Allowed 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 177.095 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -71.9 -54.49 9.87 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.811 177.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.655 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 8.1 ptm180 -57.35 -30.36 64.76 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.152 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.42 -28.59 65.39 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 105.637 -1.986 . . . . 0.0 105.637 176.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CE2' HD12 ' A' ' 18' ' ' LEU . 21.8 m-85 -97.35 -23.79 15.95 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.655 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -24.98 -75.81 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.408 0 CA-C-O 121.501 0.667 . . . . 0.0 110.413 -179.494 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.6 -45.09 76.48 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.488 -0.758 . . . . 0.0 109.003 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -48.24 -28.31 2.98 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.107 -0.996 . . . . 0.0 108.794 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.7 t60 . . . . . 0 C--N 1.306 -1.31 0 O-C-N 121.299 -0.876 . . . . 0.0 109.991 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.511 ' O ' ' O ' ' A' ' 3' ' ' SER . 7.2 p . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.511 ' O ' ' O ' ' A' ' 2' ' ' VAL . 4.9 p 39.5 98.82 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.616 -0.678 . . . . 0.0 110.587 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 3' ' ' SER . 23.6 tt0 -40.28 -44.24 1.87 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.458 -0.776 . . . . 0.0 109.73 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -45.58 -31.62 1.94 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.37 -0.831 . . . . 0.0 109.707 -179.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 1.8 mm100 -44.94 161.14 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.215 -0.928 . . . . 0.0 108.744 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.5 OUTLIER 74.16 -52.35 0.69 Allowed 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.088 -1.008 . . . . 0.0 109.617 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' A' ' 5' ' ' HIS . 33.4 tp -59.69 -29.64 68.24 Favored 'General case' 0 C--N 1.311 -1.068 0 O-C-N 121.027 -1.046 . . . . 0.0 109.825 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' A' ' 11' ' ' LYS . 11.9 m170 -68.76 -62.26 1.46 Allowed 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.21 -0.932 . . . . 0.0 108.504 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.1 t70 28.67 -87.4 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.822 176.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.56 ' N ' ' O ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -40.96 95.58 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.717 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . 132.95 -25.63 3.68 Favored Glycine 0 N--CA 1.484 1.851 0 N-CA-C 108.601 -1.799 . . . . 0.0 108.601 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp . . . . . 0 N--CA 1.487 1.378 0 O-C-N 121.495 -1.003 . . . . 0.0 108.793 178.823 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 20' ' ' ARG . 41.9 m-20 . . . . . 0 N--CA 1.484 1.256 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.851 HD22 ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -49.22 -28.26 4.43 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 177.362 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -67.76 -44.44 77.48 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.84 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.687 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -69.98 -33.19 71.75 Favored 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 119.076 -1.05 . . . . 0.0 108.872 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -54.92 -27.97 47.24 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 176.333 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.851 ' CE2' HD22 ' A' ' 18' ' ' LEU . 20.5 m-85 -96.37 -26.92 15.17 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.687 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -24.45 -82.37 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.512 0 CA-C-O 121.588 0.709 . . . . 0.0 110.182 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 24' ' ' LEU . 4.3 mt -58.18 -47.55 83.04 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.0 t-160 -44.27 -34.32 1.88 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.393 -0.817 . . . . 0.0 108.907 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.304 -1.409 0 O-C-N 121.436 -0.79 . . . . 0.0 110.156 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.566 HG13 ' N ' ' A' ' 3' ' ' SER . 7.6 p . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 121.196 0.522 . . . . 0.0 109.702 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.566 ' N ' HG13 ' A' ' 2' ' ' VAL . 41.0 t -117.04 -174.97 2.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 109.534 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 5' ' ' HIS . 0.8 OUTLIER -78.18 -61.38 2.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.346 -0.846 . . . . 0.0 109.718 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.519 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -40.43 -41.56 1.43 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.594 -0.691 . . . . 0.0 110.223 -179.361 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -47.19 160.64 0.09 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.909 -1.119 . . . . 0.0 108.539 179.454 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.515 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 75.64 -50.97 0.63 Allowed 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.151 -0.968 . . . . 0.0 109.753 -179.694 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.848 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.8 tp -56.83 -30.58 63.9 Favored 'General case' 0 C--N 1.31 -1.133 0 O-C-N 120.766 -1.208 . . . . 0.0 108.994 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.519 ' O ' ' C ' ' A' ' 10' ' ' ASP . 11.9 m170 -62.87 -61.25 2.53 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.519 ' C ' ' O ' ' A' ' 9' ' ' HIS . 3.0 t0 25.55 89.61 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.762 175.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -43.61 99.89 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.199 -0.938 . . . . 0.0 109.383 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 151.39 -35.02 0.89 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.371 -1.491 . . . . 0.0 109.371 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 12' ' ' GLY . 53.9 mmtt . . . . . 0 N--CA 1.486 1.342 0 O-C-N 121.368 -1.078 . . . . 0.0 110.166 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.547 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 9.3 tp -50.74 -27.21 6.68 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 177.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.534 ' NH1' ' HB2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -66.66 -44.58 81.49 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 177.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.629 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -72.98 -5.81 41.19 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.02 -35.84 36.71 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 103.922 -2.622 . . . . 0.0 103.922 175.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.547 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 29.7 m-85 -86.34 -24.27 25.9 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 176.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.629 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -20.91 -73.88 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.316 0 CA-C-O 121.476 0.655 . . . . 0.0 110.596 179.765 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mt -69.99 -38.32 75.98 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.4 t-160 -54.57 -44.92 73.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.242 -0.912 . . . . 0.0 109.034 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' A' ' 22' ' ' PHE . 4.1 t60 . . . . . 0 C--N 1.307 -1.274 0 O-C-N 121.265 -0.897 . . . . 0.0 109.601 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.701 HG22 ' H ' ' A' ' 3' ' ' SER . 1.5 p . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 121.299 0.571 . . . . 0.0 109.956 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.701 ' H ' HG22 ' A' ' 2' ' ' VAL . 13.4 t -80.8 113.19 18.84 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.995 -1.066 . . . . 0.0 109.414 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 5' ' ' HIS . 80.6 tt0 -69.49 -37.53 77.25 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.372 -0.83 . . . . 0.0 109.657 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.483 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -42.24 -26.91 0.12 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.42 -0.8 . . . . 0.0 110.088 -179.307 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -50.07 174.86 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 178.65 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER 68.55 -67.01 0.22 Allowed 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -178.271 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 6' ' ' GLN . 9.0 tp -66.66 -32.41 73.71 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 176.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.634 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 9.3 t-160 -93.76 38.07 1.07 Allowed 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.584 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 9' ' ' HIS . 54.9 t0 -33.33 92.37 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.426 -0.797 . . . . 0.0 110.574 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.55 ' HG2' ' CE1' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -63.41 116.91 5.98 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.257 -0.902 . . . . 0.0 109.706 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.63 -26.14 3.2 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.485 -1.536 0 O-C-N 121.515 -0.991 . . . . 0.0 108.776 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 21.0 m-20 . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.707 HD13 ' HE ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -47.61 -27.01 1.66 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 177.154 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -72.25 -52.01 18.33 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.911 -1.041 . . . . 0.0 108.983 178.158 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.646 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 7.7 ptm180 -59.36 -32.89 70.53 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 119.154 -1.018 . . . . 0.0 109.293 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.707 ' HE ' HD13 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -55.66 -28.84 57.66 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 176.686 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 23.1 m-85 -96.96 -24.89 15.61 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.646 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -23.11 -78.61 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.525 0 CA-C-O 121.385 0.612 . . . . 0.0 110.203 -179.828 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 25' ' ' HIS . 0.8 OUTLIER -63.08 -38.83 92.75 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.01 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 22' ' ' PHE . 3.0 t60 -44.31 -37.16 3.13 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 C--N 1.305 -1.349 0 O-C-N 121.635 -0.666 . . . . 0.0 109.645 179.202 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 121.32 0.581 . . . . 0.0 109.849 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 t -139.94 148.97 42.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 0.0 109.346 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.689 ' HA ' HD12 ' A' ' 7' ' ' LEU . 22.8 tt0 -65.72 -56.42 12.14 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.261 -0.9 . . . . 0.0 109.632 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 0.4 OUTLIER -47.95 -22.13 0.54 Allowed 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.285 -0.884 . . . . 0.0 110.012 -179.513 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.489 ' O ' ' HA ' ' A' ' 10' ' ' ASP . 0.5 OUTLIER -84.86 21.53 1.56 Allowed 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.16 -0.962 . . . . 0.0 110.481 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -102.0 -66.7 0.91 Allowed 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 178.21 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.013 HD13 ' N ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -61.51 -44.6 96.77 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 177.115 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 1.013 ' N ' HD13 ' A' ' 8' ' ' LEU . 7.4 t-160 -93.96 44.21 1.12 Allowed 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.489 ' HA ' ' O ' ' A' ' 6' ' ' GLN . 2.8 t70 -39.07 92.34 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.336 -0.852 . . . . 0.0 110.455 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' A' ' 9' ' ' HIS . 3.0 tmtt? -63.76 103.63 0.58 Allowed 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.328 -0.858 . . . . 0.0 109.109 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.57 -15.53 2.68 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HG2' ' OD1' ' A' ' 10' ' ' ASP . 0.0 OUTLIER . . . . . 0 CA--C 1.481 -1.702 0 O-C-N 121.62 -0.929 . . . . 0.0 109.17 179.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.482 1.159 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.584 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 49.1 tp -49.49 -26.82 3.68 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -65.2 -44.52 88.11 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 177.704 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.655 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -71.82 -15.5 62.15 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.49 -33.05 68.92 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 104.756 -2.312 . . . . 0.0 104.756 176.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.611 ' O ' ' N ' ' A' ' 26' ' ' HIS . 24.7 m-85 -93.53 -20.61 20.09 Favored 'General case' 0 C--O 1.203 -1.35 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 177.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.655 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -23.88 -54.61 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.344 0 CA-C-O 121.557 0.694 . . . . 0.0 110.617 -179.498 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.6 mt -94.45 -26.65 16.39 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.412 -0.805 . . . . 0.0 108.968 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 22' ' ' PHE . 7.0 t60 -76.48 -21.54 55.69 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.309 -0.869 . . . . 0.0 109.684 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.611 ' N ' ' O ' ' A' ' 22' ' ' PHE . 2.1 t60 . . . . . 0 C--N 1.308 -1.234 0 O-C-N 121.228 -0.92 . . . . 0.0 110.733 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.481 ' O ' ' O ' ' A' ' 3' ' ' SER . 4.9 p . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.481 ' O ' ' O ' ' A' ' 2' ' ' VAL . 5.1 p 38.53 97.04 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.56 -0.713 . . . . 0.0 110.763 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 5' ' ' HIS . 53.4 tt0 -43.36 -47.4 6.81 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.215 -0.928 . . . . 0.0 109.815 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.484 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -42.19 -31.27 0.36 Allowed 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.442 -0.786 . . . . 0.0 110.236 -179.209 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 5.0 mm100 -49.07 172.85 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER 71.93 -66.71 0.29 Allowed 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 -178.233 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.4 tp -71.41 -37.35 71.51 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 177.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.513 ' O ' ' C ' ' A' ' 10' ' ' ASP . 12.1 t-80 -71.49 -5.16 31.02 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.935 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' A' ' 9' ' ' HIS . 4.2 t0 28.07 79.85 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.243 0.544 . . . . 0.0 111.64 178.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -46.9 -25.13 0.71 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.13 -0.981 . . . . 0.0 108.875 179.225 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.587 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . -178.21 -28.68 0.04 OUTLIER Glycine 0 N--CA 1.491 2.301 0 C-N-CA 119.886 -1.149 . . . . 0.0 110.276 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.587 ' O ' ' O ' ' A' ' 12' ' ' GLY . 41.2 mmtt . . . . . 0 N--CA 1.487 1.398 0 O-C-N 121.589 -0.948 . . . . 0.0 111.752 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 20' ' ' ARG . 5.7 m-20 . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.587 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 1.6 pp -47.24 -29.01 2.14 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 177.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.8 ttm180 -69.15 -53.28 20.94 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 114.355 -1.293 . . . . 0.0 107.91 176.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.658 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 6.5 ptm180 -67.43 -35.36 79.1 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.73 -27.9 31.1 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 176.452 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 12.6 m-30 -97.06 -27.24 14.68 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.658 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -22.16 -76.12 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.475 0 CA-C-O 121.502 0.668 . . . . 0.0 110.394 -179.797 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mt -66.92 -42.2 85.77 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.426 -0.796 . . . . 0.0 108.862 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.8 OUTLIER -48.42 -39.19 21.78 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.235 -0.915 . . . . 0.0 108.747 179.496 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.7 t60 . . . . . 0 C--N 1.305 -1.338 0 O-C-N 121.487 -0.758 . . . . 0.0 109.931 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.3 p . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 121.371 0.605 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 p -56.57 177.66 0.07 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.411 -0.805 . . . . 0.0 109.56 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 6' ' ' GLN . 7.8 tt0 -103.45 -35.39 8.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.236 -0.915 . . . . 0.0 109.541 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.478 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -40.76 -28.37 0.07 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.584 -0.698 . . . . 0.0 109.959 -179.476 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -46.94 168.5 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.049 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.8 OUTLIER 68.01 -69.16 0.15 Allowed 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.668 -1.27 . . . . 0.0 107.673 -178.457 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 6' ' ' GLN . 17.6 tp -61.36 -52.93 62.57 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 177.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.486 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 0.7 OUTLIER -42.7 -68.97 0.15 Allowed 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.155 178.264 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.486 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 8.8 t0 -94.29 68.08 3.58 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.554 -0.716 . . . . 0.0 109.807 -179.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ASP . 3.2 tttt -44.2 -37.36 3.13 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.082 -1.011 . . . . 0.0 109.23 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.639 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 159.9 36.88 0.02 OUTLIER Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.639 ' O ' ' O ' ' A' ' 12' ' ' GLY . 39.3 mmtm . . . . . 0 N--CA 1.506 2.372 0 CA-C-O 121.993 0.901 . . . . 0.0 112.18 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.519 ' OD2' ' NH2' ' A' ' 21' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.802 HD22 ' NE ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -49.47 -29.11 6.12 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 177.119 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -68.41 -49.65 58.47 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.712 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.618 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -73.32 -10.68 60.01 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.696 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.802 ' NE ' HD22 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -76.15 -34.3 59.39 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 104.443 -2.428 . . . . 0.0 104.443 176.154 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.639 ' CE2' HD12 ' A' ' 18' ' ' LEU . 25.5 m-85 -90.42 -23.94 20.9 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.618 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -17.48 -76.25 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.327 0 CA-C-O 121.319 0.58 . . . . 0.0 111.087 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.0 mp -78.09 -29.4 49.02 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.326 -0.859 . . . . 0.0 108.996 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.537 ' HB2' ' HA ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -65.87 -22.12 66.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.255 -0.903 . . . . 0.0 109.547 179.726 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.607 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.4 t60 . . . . . 0 C--N 1.309 -1.183 0 O-C-N 121.173 -0.955 . . . . 0.0 110.371 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.4 HG22 ' N ' ' A' ' 3' ' ' SER . 7.6 p . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 121.269 0.557 . . . . 0.0 109.688 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.4 ' N ' HG22 ' A' ' 2' ' ' VAL . 1.0 OUTLIER -58.08 124.54 19.68 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.195 -0.941 . . . . 0.0 109.321 179.701 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.1 tt0 -72.77 -26.5 61.56 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.259 -0.901 . . . . 0.0 109.215 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.534 ' HB3' ' NE2' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -42.82 -28.88 0.28 Allowed 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.426 -0.796 . . . . 0.0 109.979 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.505 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 3.0 mt-30 -42.62 158.41 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.348 -0.845 . . . . 0.0 109.069 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER 76.01 -49.58 0.6 Allowed 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.303 -0.873 . . . . 0.0 109.734 -179.704 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 8' ' ' LEU . 9.5 tp -65.82 -9.77 31.7 Favored 'General case' 0 C--N 1.311 -1.101 0 O-C-N 120.905 -1.122 . . . . 0.0 110.205 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.557 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 10.6 m170 -80.15 -32.17 38.9 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-O 122.814 1.292 . . . . 0.0 108.053 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.472 ' OD1' ' HG2' ' A' ' 13' ' ' LYS . 10.2 t0 -39.33 92.53 0.01 OUTLIER 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 114.336 -1.302 . . . . 0.0 110.204 178.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 9' ' ' HIS . 6.2 ttmm -68.83 -4.49 16.4 Favored 'General case' 0 C--N 1.307 -1.256 0 O-C-N 121.301 -0.874 . . . . 0.0 109.478 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.588 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 140.96 -4.35 2.37 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.588 ' O ' ' O ' ' A' ' 12' ' ' GLY . 20.0 mmtt . . . . . 0 N--CA 1.483 1.204 0 O-C-N 121.661 -0.905 . . . . 0.0 111.684 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.51 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 70.8 m-20 . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.588 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 5.5 tp -50.31 -27.76 6.72 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 105.174 -2.158 . . . . 0.0 105.174 176.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.544 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -74.65 -56.15 5.12 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.518 -1.219 . . . . 0.0 108.124 177.767 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.678 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 1.8 ptm180 -63.64 -25.47 68.23 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.214 -0.994 . . . . 0.0 108.696 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -61.37 -30.73 70.71 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 105.031 -2.211 . . . . 0.0 105.031 176.382 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.588 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 17.0 m-85 -95.59 -23.58 16.99 Favored 'General case' 0 C--N 1.309 -1.196 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.678 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -27.27 -82.23 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.472 0 CA-C-O 121.66 0.743 . . . . 0.0 110.035 -179.68 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.88 -46.23 74.72 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -49.14 -38.23 24.56 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.079 -1.013 . . . . 0.0 108.835 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 22' ' ' PHE . 3.2 t60 . . . . . 0 C--N 1.302 -1.478 0 O-C-N 121.616 -0.678 . . . . 0.0 110.077 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.52 ' O ' ' O ' ' A' ' 3' ' ' SER . 11.7 p . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.52 ' O ' ' O ' ' A' ' 2' ' ' VAL . 1.2 p 40.51 101.5 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.637 0.732 . . . . 0.0 110.787 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 3' ' ' SER . 14.2 tt0 -43.01 -34.46 1.0 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.103 -0.998 . . . . 0.0 109.412 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.725 ' ND1' HD23 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -50.03 -19.81 0.81 Allowed 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.343 -0.848 . . . . 0.0 110.011 -179.643 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -47.25 170.24 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.146 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER 69.81 -67.47 0.23 Allowed 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -178.286 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.725 HD23 ' ND1' ' A' ' 5' ' ' HIS . 12.9 tp -59.61 -44.58 93.38 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 176.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.565 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 1.3 t-80 -48.58 -76.03 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 114.627 -1.17 . . . . 0.0 110.225 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.565 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 13.1 t0 -80.69 -45.68 16.76 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.483 -0.76 . . . . 0.0 110.366 -178.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.538 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 44.08 23.08 0.05 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.347 -0.846 . . . . 0.0 110.751 179.575 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.577 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 110.16 -28.16 10.76 Favored Glycine 0 N--CA 1.491 2.306 0 C-N-CA 119.694 -1.241 . . . . 0.0 110.139 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.577 ' O ' ' O ' ' A' ' 12' ' ' GLY . 21.3 mmtp . . . . . 0 N--CA 1.486 1.347 0 O-C-N 121.623 -0.928 . . . . 0.0 111.683 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.444 ' C ' ' N ' ' A' ' 19' ' ' ARG . 9.2 t0 . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.633 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 9.2 tp -50.4 -27.43 6.35 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 177.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.525 ' HG2' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -67.54 -61.67 1.78 Allowed 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.189 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.704 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -62.2 -28.02 69.38 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 178.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.503 ' HB2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -54.43 -34.51 61.55 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 104.638 -2.356 . . . . 0.0 104.638 176.189 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.633 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 20.9 m-85 -89.41 -28.63 19.62 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 176.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.704 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -13.58 -78.34 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.555 0 CA-C-O 121.625 0.726 . . . . 0.0 111.136 -178.869 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.79 -36.89 62.5 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -53.5 -31.86 47.86 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.303 -0.873 . . . . 0.0 108.826 179.265 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 22' ' ' PHE . 4.6 t60 . . . . . 0 C--N 1.31 -1.114 0 O-C-N 121.275 -0.891 . . . . 0.0 110.159 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 121.31 0.576 . . . . 0.0 109.685 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.96 157.95 36.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.894 . . . . 0.0 109.27 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.4 tt0 -78.44 -64.44 1.17 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.155 -0.966 . . . . 0.0 109.628 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.487 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -42.3 -35.23 0.94 Allowed 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.374 -0.829 . . . . 0.0 109.97 -179.491 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 2.6 mt-30 -46.3 163.12 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.01 -1.056 . . . . 0.0 108.293 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER 73.08 -52.56 0.71 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.062 -1.024 . . . . 0.0 109.765 -179.693 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 8' ' ' LEU . 9.5 tp -61.37 -19.6 62.05 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 120.893 -1.129 . . . . 0.0 109.815 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.541 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 9.9 m170 -81.13 -30.41 34.53 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.794 1.283 . . . . 0.0 107.902 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.564 ' OD2' ' CG ' ' A' ' 13' ' ' LYS . 1.9 t70 -90.98 12.59 19.19 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.785 -178.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.53 ' CB ' ' NZ ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -73.73 42.62 0.14 Allowed 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.997 -1.064 . . . . 0.0 110.105 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.635 ' HA2' ' CB ' ' A' ' 17' ' ' ASP . . . -161.87 15.84 0.15 Allowed Glycine 0 N--CA 1.479 1.565 0 C-N-CA 119.095 -1.526 . . . . 0.0 111.035 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.564 ' CG ' ' OD2' ' A' ' 10' ' ' ASP . 8.1 mmtt . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.009 -1.289 . . . . 0.0 112.055 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.635 ' CB ' ' HA2' ' A' ' 12' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--O 1.205 -1.259 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.609 ' HG ' ' CZ ' ' A' ' 22' ' ' PHE . 4.7 tp -45.91 -29.04 1.26 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 106.152 -1.795 . . . . 0.0 106.152 177.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' PHE . 3.2 ttm-85 -68.62 -51.45 42.11 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.676 -1.147 . . . . 0.0 107.933 177.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.693 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -72.83 -29.16 63.0 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.511 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -58.28 -32.31 68.3 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 104.719 -2.326 . . . . 0.0 104.719 176.28 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.609 ' CZ ' ' HG ' ' A' ' 18' ' ' LEU . 14.0 m-30 -92.51 -25.98 18.15 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.693 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -18.55 -77.33 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.509 0 CA-C-O 121.602 0.715 . . . . 0.0 110.712 -179.651 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp -70.82 -36.63 73.03 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.514 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -57.23 -24.95 58.08 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.068 -1.02 . . . . 0.0 109.067 179.742 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.543 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.5 t60 . . . . . 0 C--N 1.304 -1.379 0 O-C-N 121.4 -0.813 . . . . 0.0 110.429 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.35 158.92 28.64 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.277 -0.889 . . . . 0.0 109.652 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' HIS . 30.4 tt0 -97.69 -59.79 1.7 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.268 -0.895 . . . . 0.0 109.47 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.559 ' O ' ' N ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -42.78 -27.68 0.19 Allowed 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.364 -0.835 . . . . 0.0 110.023 -179.761 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -45.65 167.54 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.405 179.63 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 70.81 -63.32 0.42 Allowed 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 -178.404 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 6' ' ' GLN . 10.8 tp -75.24 -30.71 60.59 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.559 ' N ' ' O ' ' A' ' 5' ' ' HIS . 6.6 t-80 -59.29 -34.44 72.28 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.137 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.599 ' O ' ' N ' ' A' ' 12' ' ' GLY . 5.1 t0 26.87 -89.04 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.239 0 CA-C-O 120.774 0.321 . . . . 0.0 111.555 178.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 1.009 ' HG2' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -40.69 89.83 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . 145.52 -31.89 1.64 Allowed Glycine 0 N--CA 1.481 1.66 0 N-CA-C 106.381 -2.687 . . . . 0.0 106.381 -178.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' O ' ' OD2' ' A' ' 17' ' ' ASP . 0.2 OUTLIER . . . . . 0 CA--C 1.479 -1.788 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 176.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.569 ' CB ' ' NH2' ' A' ' 21' ' ' ARG . 7.7 m-20 . . . . . 0 N--CA 1.483 1.196 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 1.009 HD22 ' HG2' ' A' ' 11' ' ' LYS . 14.0 tp -46.89 -28.24 1.52 Allowed 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 177.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -65.89 -55.31 17.64 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 177.64 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.657 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 5.8 ptp180 -61.28 -14.0 23.14 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.585 -0.846 . . . . 0.0 108.875 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.569 ' NH2' ' CB ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -73.37 -31.01 63.67 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 104.967 -2.234 . . . . 0.0 104.967 176.134 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.539 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 20.4 m-85 -94.28 -22.97 18.04 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.657 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -22.35 -78.21 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.323 0 CA-C-O 121.678 0.751 . . . . 0.0 110.393 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -41.99 88.21 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -50.54 -35.86 31.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.218 -0.927 . . . . 0.0 109.419 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.5 t60 . . . . . 0 C--N 1.305 -1.368 0 O-C-N 121.187 -0.946 . . . . 0.0 110.281 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 121.266 0.555 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.462 ' OG ' ' HG3' ' A' ' 6' ' ' GLN . 38.4 p -54.52 117.52 3.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.366 -0.834 . . . . 0.0 109.575 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.468 ' O ' ' O ' ' A' ' 5' ' ' HIS . 13.3 tt0 -57.61 -71.47 0.1 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.403 -0.81 . . . . 0.0 109.711 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.517 ' O ' ' O ' ' A' ' 6' ' ' GLN . 2.6 m-70 -42.24 -95.61 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.46 -0.775 . . . . 0.0 110.767 -179.481 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.793 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER 42.22 -160.08 0.01 OUTLIER 'General case' 0 C--O 1.205 -1.265 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -177.813 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 6' ' ' GLN . 1.8 mt 39.49 -79.5 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.068 0 CA-C-N 119.342 0.974 . . . . 0.0 109.647 178.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.793 ' N ' ' O ' ' A' ' 6' ' ' GLN . 2.3 tp -64.6 -42.33 95.64 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.588 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 8.2 t-80 -79.25 4.62 14.5 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.013 179.545 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.542 ' C ' ' O ' ' A' ' 9' ' ' HIS . 5.3 t0 20.48 55.14 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.811 0.815 . . . . 0.0 111.419 178.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 9' ' ' HIS . 1.4 tttt -62.02 -34.19 75.75 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.8 -1.187 . . . . 0.0 109.141 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.649 ' CA ' HD23 ' A' ' 18' ' ' LEU . . . -169.42 37.41 0.2 Allowed Glycine 0 N--CA 1.48 1.568 0 N-CA-C 106.902 -2.479 . . . . 0.0 106.902 179.75 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER . . . . . 0 CA--C 1.479 -1.761 0 O-C-N 122.147 -0.619 . . . . 0.0 110.328 179.456 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.511 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 1.1 m-20 . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.649 HD23 ' CA ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -48.2 -27.18 2.28 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 177.355 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -70.12 -48.26 58.28 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 177.55 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.643 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -62.21 -16.72 55.08 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.554 -0.858 . . . . 0.0 109.157 -179.8 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -72.4 -29.93 64.19 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 176.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.533 ' O ' ' C ' ' A' ' 23' ' ' PHE . 33.7 m-85 -96.02 -21.59 17.9 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.453 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.643 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -22.65 -75.74 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.377 0 CA-C-O 121.621 0.724 . . . . 0.0 109.939 179.727 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -66.13 -42.65 88.85 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.862 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.502 ' HB2' ' HA ' ' A' ' 22' ' ' PHE . 1.7 t60 -45.28 -38.93 6.04 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.243 -0.91 . . . . 0.0 108.709 179.283 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' PHE . 4.4 t60 . . . . . 0 C--N 1.306 -1.31 0 O-C-N 121.478 -0.764 . . . . 0.0 110.544 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 121.16 0.505 . . . . 0.0 109.674 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 6.5 t -141.36 147.87 38.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.633 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -74.77 -60.68 2.17 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.258 -0.901 . . . . 0.0 109.455 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.501 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -51.15 -19.33 1.12 Allowed 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.388 -0.82 . . . . 0.0 110.12 -179.895 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER -49.56 175.21 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.785 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 6' ' ' GLN . 2.6 mt 68.48 -68.71 0.17 Allowed 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -178.427 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 8' ' ' LEU . 7.2 tp -66.99 -30.15 70.19 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 176.603 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.626 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 10.1 t-160 -97.13 39.3 1.19 Allowed 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.633 179.473 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' A' ' 12' ' ' GLY . 2.9 t70 -28.69 93.06 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.714 -0.616 . . . . 0.0 110.552 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' HIS . 1.9 tmtp? -50.07 88.86 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.449 -0.782 . . . . 0.0 109.599 -179.732 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.56 ' O ' ' C ' ' A' ' 13' ' ' LYS . . . 147.24 -93.11 0.15 Allowed Glycine 0 N--CA 1.48 1.609 0 N-CA-C 107.308 -2.317 . . . . 0.0 107.308 -179.478 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.56 ' C ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER . . . . . 0 CA--C 1.478 -1.813 0 CA-C-N 118.002 0.901 . . . . 0.0 109.095 178.333 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 1.7 m-20 . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.65 HD22 ' NE ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -43.82 -31.64 0.89 Allowed 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 105.976 -1.861 . . . . 0.0 105.976 177.438 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -65.94 -63.25 1.13 Allowed 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 176.481 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.732 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 3.3 tmm_? -55.21 -37.45 67.14 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.892 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.65 ' NE ' HD22 ' A' ' 18' ' ' LEU . 2.9 mtm-85 -51.19 -32.84 25.02 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 105.507 -2.034 . . . . 0.0 105.507 176.801 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.59 ' O ' ' N ' ' A' ' 26' ' ' HIS . 22.1 m-85 -89.95 -29.67 18.34 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 176.509 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.732 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -11.19 -74.85 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.474 0 CA-C-O 121.569 0.7 . . . . 0.0 110.957 -179.254 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.74 -41.04 54.43 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.415 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.572 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -56.56 -27.61 58.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.168 -0.958 . . . . 0.0 109.115 179.31 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.59 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.8 t60 . . . . . 0 C--N 1.307 -1.279 0 O-C-N 121.261 -0.899 . . . . 0.0 110.373 -179.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 121.284 0.564 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -144.73 163.99 32.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.271 -0.893 . . . . 0.0 109.595 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.7 tp10 -88.71 -69.94 0.68 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.267 -0.896 . . . . 0.0 109.256 179.86 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.503 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 5.3 m-70 -42.97 -46.69 5.53 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.339 -0.851 . . . . 0.0 109.763 -179.878 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.525 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -45.72 161.09 0.05 OUTLIER 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.101 -0.999 . . . . 0.0 108.527 179.443 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.525 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.4 OUTLIER 75.88 -50.8 0.62 Allowed 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.226 -0.921 . . . . 0.0 109.667 -179.663 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 8' ' ' LEU . 4.1 tp -59.05 -38.41 79.29 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 120.783 -1.198 . . . . 0.0 109.123 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.515 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 11.8 m170 -72.24 -69.44 0.4 Allowed 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.778 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 9' ' ' HIS . 2.7 t0 29.18 87.33 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.539 176.245 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -43.53 102.7 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.234 -0.916 . . . . 0.0 109.716 -179.689 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.23 -36.93 0.81 Allowed Glycine 0 N--CA 1.488 2.161 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' CG ' ' OD2' ' A' ' 10' ' ' ASP . 8.9 mmtt . . . . . 0 C--N 1.304 -1.374 0 O-C-N 121.529 -0.983 . . . . 0.0 110.087 179.67 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.527 ' OD1' ' CD ' ' A' ' 20' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.616 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 2.1 tp -47.82 -28.89 2.8 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 176.791 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.53 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -70.5 -52.01 24.94 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 177.595 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.675 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 8.3 ptm180 -66.82 -27.25 67.41 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.295 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -57.84 -31.55 66.76 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 104.981 -2.229 . . . . 0.0 104.981 176.358 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.616 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 20.5 m-85 -95.41 -25.33 16.31 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.801 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.675 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -21.55 -70.56 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.653 0 CA-C-O 121.518 0.675 . . . . 0.0 110.331 -179.534 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.0 mt -72.6 -40.49 66.51 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.151 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.8 t60 -49.92 -43.43 49.75 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.287 -0.883 . . . . 0.0 108.83 179.248 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.5 t60 . . . . . 0 C--N 1.307 -1.265 0 O-C-N 121.347 -0.846 . . . . 0.0 109.875 179.628 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 3' ' ' SER . 7.3 p . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 121.197 0.523 . . . . 0.0 109.827 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.466 ' N ' HG13 ' A' ' 2' ' ' VAL . 15.2 t -119.28 162.81 18.1 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.147 -0.971 . . . . 0.0 109.699 -179.755 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 5' ' ' HIS . 18.0 tp10 -83.98 -71.01 0.53 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.291 -0.881 . . . . 0.0 109.373 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.466 ' O ' ' O ' ' A' ' 6' ' ' GLN . 1.5 m-70 -42.01 -28.39 0.17 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.379 -0.825 . . . . 0.0 109.539 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -46.82 167.35 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.917 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.507 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 0.2 OUTLIER 67.87 -69.52 0.14 Allowed 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 -178.388 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 6' ' ' GLN . 10.8 tp -56.1 -45.29 79.47 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 176.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.568 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 1.9 t-80 -45.11 -78.59 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.969 178.373 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 12' ' ' GLY . 8.4 t0 -82.87 -68.36 0.71 Allowed 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.642 -0.662 . . . . 0.0 110.38 -179.243 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.507 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . 2.9 tmtp? -47.63 88.42 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.593 -0.692 . . . . 0.0 109.25 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . 144.46 -32.9 1.71 Allowed Glycine 0 N--CA 1.484 1.885 0 N-CA-C 108.615 -1.794 . . . . 0.0 108.615 -179.475 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 47.1 mmtt . . . . . 0 CA--C 1.487 -1.474 0 O-C-N 121.312 -1.111 . . . . 0.0 108.648 178.699 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.491 ' OD2' ' NE ' ' A' ' 20' ' ' ARG . 7.4 t70 . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' ASP . 15.9 tp -49.06 -26.72 2.81 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 177.373 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -70.76 -49.06 50.77 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.645 177.892 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.672 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 1.0 OUTLIER -58.68 -34.72 71.58 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 119.107 -1.037 . . . . 0.0 109.194 -179.36 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.548 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 1.6 mpp_? -56.54 -27.44 57.64 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 176.658 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.602 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 20.2 m-85 -96.12 -24.87 16.1 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.063 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.672 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -24.9 -82.62 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.465 0 CA-C-O 121.917 0.865 . . . . 0.0 110.071 -179.375 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -52.68 -38.69 60.95 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.702 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.563 ' HB2' ' HA ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -43.03 -43.62 4.36 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.376 -0.93 . . . . 0.0 109.24 179.816 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.602 ' CE1' ' HB3' ' A' ' 22' ' ' PHE . 11.8 m-70 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 122.197 0.999 . . . . 0.0 109.419 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.404 HG22 ' N ' ' A' ' 3' ' ' SER . 12.5 p . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 121.29 0.567 . . . . 0.0 109.711 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.404 ' N ' HG22 ' A' ' 2' ' ' VAL . 28.9 t -50.87 153.52 1.75 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.309 -0.869 . . . . 0.0 109.556 -179.875 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -85.23 -30.91 23.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.363 -0.836 . . . . 0.0 109.719 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.464 ' O ' ' O ' ' A' ' 6' ' ' GLN . 3.4 t-80 -43.88 -35.28 1.9 Allowed 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.181 -0.95 . . . . 0.0 109.985 -179.575 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -45.65 164.79 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.443 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 0.3 OUTLIER 67.71 -68.18 0.17 Allowed 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 -177.936 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' A' ' 6' ' ' GLN . 6.1 tp -54.92 -45.7 74.8 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 105.466 -2.05 . . . . 0.0 105.466 176.529 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.634 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 1.7 t-80 -41.45 -82.64 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.006 178.386 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.634 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 24.9 t70 -81.09 -110.98 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.535 -0.728 . . . . 0.0 109.642 -179.409 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 35.52 31.28 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.395 -0.816 . . . . 0.0 110.503 179.751 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . -148.65 -36.57 0.04 OUTLIER Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 12' ' ' GLY . 4.7 mmtm . . . . . 0 C--N 1.306 -1.304 0 O-C-N 121.313 -1.11 . . . . 0.0 110.399 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' C ' ' N ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.21 -0.982 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.623 ' C ' HD12 ' A' ' 18' ' ' LEU . 1.1 pp -50.76 -26.69 5.94 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 105.712 -1.958 . . . . 0.0 105.712 177.704 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -72.47 -50.59 25.01 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.633 -1.167 . . . . 0.0 108.329 178.17 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.708 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 7.9 ptm180 -71.71 -33.12 68.49 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.239 -0.984 . . . . 0.0 108.452 179.765 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.402 ' HE ' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -53.52 -28.66 32.46 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 104.951 -2.24 . . . . 0.0 104.951 175.857 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.548 ' O ' ' C ' ' A' ' 23' ' ' PHE . 10.1 m-30 -95.51 -29.56 14.31 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.991 177.759 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.708 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -23.54 -83.55 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.419 0 CA-C-O 121.509 0.671 . . . . 0.0 110.538 -179.34 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.66 -45.61 77.67 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.494 -0.754 . . . . 0.0 109.192 179.841 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.497 ' HB2' ' HA ' ' A' ' 22' ' ' PHE . 1.2 m170 -50.35 -54.68 19.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.976 -1.077 . . . . 0.0 109.045 179.78 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 22' ' ' PHE . 2.5 t60 . . . . . 0 C--N 1.303 -1.436 0 O-C-N 121.178 -0.951 . . . . 0.0 108.768 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 3' ' ' SER . 10.5 p . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 121.284 0.564 . . . . 0.0 109.674 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 6' ' ' GLN . 35.5 t -67.15 148.87 51.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.346 -0.846 . . . . 0.0 109.363 179.86 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' HIS . 5.5 tt0 -86.44 -74.0 0.44 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.215 -0.928 . . . . 0.0 109.668 -179.873 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.489 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -43.5 -31.54 0.73 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.398 -0.814 . . . . 0.0 109.858 -179.575 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -47.23 169.78 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.206 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.509 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER 72.95 -63.84 0.42 Allowed 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -178.269 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 6' ' ' GLN . 13.3 tp -76.26 -38.26 56.5 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 177.667 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.566 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 4.7 t-80 -55.5 -18.98 8.3 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.02 -179.827 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.542 ' C ' ' O ' ' A' ' 9' ' ' HIS . 6.2 t0 15.81 108.28 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.407 0.622 . . . . 0.0 112.339 178.789 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.38 10.66 0.74 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.1 -1.0 . . . . 0.0 111.274 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . -107.06 -9.8 29.22 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 179.369 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.472 ' HG2' ' OD2' ' A' ' 10' ' ' ASP . 57.6 mmtt . . . . . 0 C--N 1.305 -1.326 0 O-C-N 121.496 -1.002 . . . . 0.0 110.46 -179.854 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.511 ' HB3' ' NH2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.839 HD12 ' CZ ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -48.4 -29.31 3.9 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 177.547 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.5 ttm-85 -64.29 -52.04 60.53 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.82 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.687 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -68.49 -31.82 71.36 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.886 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.665 ' NE ' HD22 ' A' ' 18' ' ' LEU . 2.0 mtm-85 -53.95 -30.55 47.21 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.094 -2.187 . . . . 0.0 105.094 176.184 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.839 ' CZ ' HD12 ' A' ' 18' ' ' LEU . 21.4 m-85 -92.85 -30.18 15.57 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.212 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.687 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -15.09 -74.14 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.534 0 CA-C-O 121.641 0.734 . . . . 0.0 111.052 -179.62 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.45 ' HA ' HD13 ' A' ' 24' ' ' LEU . 4.1 mm? -72.68 -40.13 66.52 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.537 -0.727 . . . . 0.0 109.166 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.547 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -57.68 -36.42 71.91 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.14 -0.975 . . . . 0.0 109.108 179.537 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.558 ' N ' ' O ' ' A' ' 22' ' ' PHE . 4.0 t60 . . . . . 0 C--N 1.306 -1.29 0 O-C-N 121.366 -0.834 . . . . 0.0 109.793 179.492 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.472 ' O ' ' O ' ' A' ' 3' ' ' SER . 9.3 p . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.472 ' O ' ' O ' ' A' ' 2' ' ' VAL . 10.6 p 37.88 93.88 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.63 -0.668 . . . . 0.0 110.311 179.643 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' SER . 30.8 tt0 -42.55 -41.79 3.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.216 -0.928 . . . . 0.0 109.686 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.504 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -45.45 -23.51 0.22 Allowed 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.274 -0.891 . . . . 0.0 110.11 -179.42 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 8' ' ' LEU . 2.1 mm-40 -49.77 175.38 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 178.808 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.508 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 70.19 -70.05 0.16 Allowed 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 -178.069 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 8' ' ' LEU . 1.2 tp -66.77 -40.04 88.08 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 105.699 -1.963 . . . . 0.0 105.699 176.508 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.616 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 10.0 t-160 -91.03 37.37 0.93 Allowed 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.413 178.802 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.485 ' OD1' ' HG2' ' A' ' 13' ' ' LYS . 6.3 t70 -34.43 94.05 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.57 -0.706 . . . . 0.0 110.626 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 9' ' ' HIS . 12.5 tptp -66.7 99.97 0.65 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.171 -0.956 . . . . 0.0 109.415 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 152.12 -30.74 0.89 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.898 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.485 ' HG2' ' OD1' ' A' ' 10' ' ' ASP . 8.5 mmtt . . . . . 0 C--N 1.304 -1.393 0 O-C-N 121.375 -1.073 . . . . 0.0 110.373 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.578 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -49.68 -27.84 5.22 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 177.702 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.6 ttm-85 -63.77 -62.27 1.76 Allowed 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 177.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.687 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -59.89 -28.62 67.71 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 178.772 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.461 ' HB2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -56.3 -31.75 63.95 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 104.86 -2.274 . . . . 0.0 104.86 176.08 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.578 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 22.7 m-85 -91.82 -26.04 18.71 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 176.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.687 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -20.1 -71.13 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.428 0 CA-C-O 121.752 0.787 . . . . 0.0 110.057 -179.44 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.2 -44.97 74.65 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.088 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 22' ' ' PHE . 3.3 t-160 -47.74 -45.83 29.37 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.096 -1.003 . . . . 0.0 108.356 179.125 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.6 t60 . . . . . 0 C--N 1.306 -1.295 0 O-C-N 121.463 -0.773 . . . . 0.0 109.608 179.359 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 121.364 0.602 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.454 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -142.77 171.62 13.81 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.337 -0.852 . . . . 0.0 109.164 179.937 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.09 -42.12 63.35 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.112 -0.993 . . . . 0.0 109.201 179.877 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 9' ' ' HIS . 1.6 m-70 -52.48 -19.03 1.95 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.321 -0.862 . . . . 0.0 109.939 -179.909 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -47.32 170.4 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 179.016 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.467 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER 69.32 -68.62 0.18 Allowed 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 -177.982 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.802 HD12 ' O ' ' A' ' 8' ' ' LEU . 1.4 tp -64.73 -32.81 74.65 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 105.488 -2.041 . . . . 0.0 105.488 176.321 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.636 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 9.9 t-160 -90.61 35.49 0.88 Allowed 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.5 179.249 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.541 ' C ' ' O ' ' A' ' 9' ' ' HIS . 21.6 t0 -25.81 124.46 0.06 Allowed 'General case' 0 N--CA 1.499 2.017 0 CA-C-O 121.231 0.538 . . . . 0.0 110.728 179.714 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.84 13.78 2.49 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.212 -0.93 . . . . 0.0 110.538 -179.332 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . -108.47 -15.97 12.85 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 179.761 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 12' ' ' GLY . 15.3 mmtp . . . . . 0 C--N 1.305 -1.341 0 O-C-N 121.462 -1.022 . . . . 0.0 110.26 -179.876 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.526 ' HA ' ' HB2' ' A' ' 20' ' ' ARG . 19.9 t0 . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.621 HD22 ' HE ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -52.57 -23.33 6.19 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 104.964 -2.235 . . . . 0.0 104.964 175.712 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -90.94 -63.01 1.33 Allowed 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.398 -1.274 . . . . 0.0 108.191 178.212 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.693 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -50.39 -23.12 2.18 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -179.864 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.621 ' HE ' HD22 ' A' ' 18' ' ' LEU . 6.7 mtm-85 -61.61 -44.06 97.7 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 105.18 -2.155 . . . . 0.0 105.18 177.185 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.577 ' HA ' ' HB2' ' A' ' 25' ' ' HIS . 46.8 m-85 -82.92 -19.58 37.02 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 177.495 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.693 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -27.07 -70.53 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.293 0 CA-C-O 121.504 0.669 . . . . 0.0 110.679 -179.193 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.525 ' HA ' HD13 ' A' ' 24' ' ' LEU . 3.1 mm? -69.77 -40.69 75.91 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.556 -0.715 . . . . 0.0 109.599 -179.773 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.577 ' HB2' ' HA ' ' A' ' 22' ' ' PHE . 7.8 m-70 -56.39 -42.78 78.48 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.116 -0.99 . . . . 0.0 109.31 -179.906 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.1 t60 . . . . . 0 C--N 1.306 -1.291 0 O-C-N 121.111 -0.993 . . . . 0.0 109.657 179.898 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 2' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 121.449 0.643 . . . . 0.0 109.667 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 3.3 t -51.81 161.51 0.54 Allowed 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.425 -0.797 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -51.04 -37.65 46.68 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.16 -0.963 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -49.51 -26.42 3.42 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.418 -0.801 . . . . 0.0 110.207 -179.568 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -47.56 172.65 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.377 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 69.33 -62.84 0.4 Allowed 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 -178.464 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 6' ' ' GLN . 19.1 tp -77.61 -33.18 53.8 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 177.533 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.553 ' N ' ' O ' ' A' ' 5' ' ' HIS . 8.6 t-80 -75.62 -4.81 42.18 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.517 ' C ' ' O ' ' A' ' 9' ' ' HIS . 5.9 t0 24.12 -88.77 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.146 0.498 . . . . 0.0 111.77 178.77 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 9' ' ' HIS . 1.1 tptm 36.22 30.35 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.589 -0.694 . . . . 0.0 110.697 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . -143.04 -37.32 0.08 OUTLIER Glycine 0 N--CA 1.489 2.17 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 179.244 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.462 ' HG2' ' OD1' ' A' ' 10' ' ' ASP . 29.6 mmtt . . . . . 0 C--N 1.304 -1.379 0 O-C-N 121.397 -1.061 . . . . 0.0 110.797 -179.704 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.548 ' O ' ' N ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.796 HD11 ' CZ ' ' A' ' 22' ' ' PHE . 12.8 tp -48.3 -28.71 3.28 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 177.11 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.9 OUTLIER -70.19 -50.93 35.15 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 177.623 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.599 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -73.46 -4.83 36.16 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 178.171 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 17' ' ' ASP . 2.5 mtt-85 -82.48 -36.36 26.55 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 104.255 -2.498 . . . . 0.0 104.255 176.468 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.796 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 20.2 m-85 -86.42 -22.69 26.4 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 176.299 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.599 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -19.43 -75.72 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 CA-C-O 121.512 0.672 . . . . 0.0 110.682 179.88 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.72 -35.14 67.51 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.21 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 22' ' ' PHE . 4.4 t60 -55.59 -37.26 67.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.326 -0.859 . . . . 0.0 109.255 179.657 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.1 t60 . . . . . 0 C--N 1.306 -1.314 0 O-C-N 121.334 -0.854 . . . . 0.0 110.187 -179.856 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 3' ' ' SER . 2.9 p . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 121.173 0.511 . . . . 0.0 109.663 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.487 ' OG ' ' N ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -87.2 -172.33 3.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.218 -0.926 . . . . 0.0 109.407 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.487 ' N ' ' OG ' ' A' ' 3' ' ' SER . 1.4 tt0 -100.15 -62.5 1.23 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.3 -0.875 . . . . 0.0 109.839 -179.758 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.464 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -61.73 -9.87 7.42 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.369 -0.832 . . . . 0.0 110.633 -179.229 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.04 20.14 1.96 Allowed 'General case' 0 C--N 1.306 -1.289 0 O-C-N 120.946 -1.096 . . . . 0.0 110.446 -179.847 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.5 -68.46 0.8 Allowed 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 178.625 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.0 tp -62.68 -44.11 97.09 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 178.05 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.52 ' O ' ' C ' ' A' ' 10' ' ' ASP . 3.7 t-80 -52.71 -52.62 55.41 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.823 -0.548 . . . . 0.0 110.131 -179.785 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.549 ' O ' ' N ' ' A' ' 12' ' ' GLY . 19.2 t0 28.79 -99.94 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.147 0 O-C-N 121.943 -0.473 . . . . 0.0 111.013 179.251 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER 33.54 32.26 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.621 -0.675 . . . . 0.0 110.473 179.574 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . -142.16 -33.89 0.11 Allowed Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.763 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.487 ' O ' ' O ' ' A' ' 12' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--N 1.306 -1.289 0 O-C-N 121.365 -1.079 . . . . 0.0 109.956 179.881 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.519 ' O ' ' N ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.618 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 3.4 tp -50.04 -27.5 5.64 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 176.837 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.5 ttm-85 -71.43 -57.69 4.21 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 177.532 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.637 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -64.44 -11.94 38.45 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 179.356 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -74.71 -33.93 62.49 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 104.586 -2.376 . . . . 0.0 104.586 176.146 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.618 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 23.7 m-85 -90.94 -22.69 20.73 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 176.813 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.637 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -20.61 -69.97 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.427 0 CA-C-O 121.69 0.757 . . . . 0.0 110.578 179.903 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mt -76.75 -33.97 58.08 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.557 -0.715 . . . . 0.0 109.287 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -69.1 -13.71 62.59 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.126 -0.984 . . . . 0.0 110.368 -179.761 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.57 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.307 -1.255 0 O-C-N 120.971 -1.08 . . . . 0.0 111.265 -178.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.324 0.583 . . . . 0.0 109.538 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.453 HG22 ' N ' ' A' ' 3' ' ' SER . 2.6 p -43.58 157.05 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.145 -0.972 . . . . 0.0 109.641 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.453 ' N ' HG22 ' A' ' 2' ' ' VAL . 1.3 p -105.25 -173.72 2.37 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.215 -0.928 . . . . 0.0 109.384 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -81.87 -68.67 0.68 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.253 -0.905 . . . . 0.0 109.409 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -46.77 -28.3 1.49 Allowed 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.316 -0.865 . . . . 0.0 109.933 -179.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -48.9 172.52 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 178.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.452 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER 69.16 -69.88 0.15 Allowed 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 106.43 -1.693 . . . . 0.0 106.43 -177.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 8' ' ' LEU . 1.9 tp -64.01 -32.8 74.47 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 176.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.616 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 11.9 t-80 -98.69 45.21 1.01 Allowed 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.6 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.55 ' O ' ' N ' ' A' ' 12' ' ' GLY . 8.7 t0 -25.77 -47.11 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.931 -0.481 . . . . 0.0 110.965 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 9' ' ' HIS . 2.3 mmtm -43.92 93.41 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.438 -0.789 . . . . 0.0 109.134 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . 151.11 -36.16 0.89 Allowed Glycine 0 N--CA 1.487 2.058 0 N-CA-C 108.809 -1.716 . . . . 0.0 108.809 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.864 ' HB2' HD11 ' A' ' 15' ' ' ILE . 12.6 mmtt -57.09 -161.87 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 O-C-N 121.296 -1.12 . . . . 0.0 109.919 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.848 ' C ' HD13 ' A' ' 15' ' ' ILE . 1.5 m -69.37 58.62 0.12 Allowed 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 122.509 1.147 . . . . 0.0 110.6 -178.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.864 HD11 ' HB2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -114.56 -47.54 4.89 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 N-CA-C 102.577 -3.12 . . . . 0.0 102.577 177.236 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.495 ' HA ' ' NH2' ' A' ' 19' ' ' ARG . 4.3 mm-40 -63.4 -29.89 71.11 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 104.195 -2.52 . . . . 0.0 104.195 173.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -87.6 -43.18 12.17 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 115.419 -0.809 . . . . 0.0 108.868 178.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.759 HD23 ' O ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -49.59 -27.53 4.63 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 177.65 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -66.83 -49.16 66.65 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.188 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.635 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -65.68 -11.86 48.65 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.763 0.792 . . . . 0.0 109.049 179.67 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -31.61 53.89 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 176.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.556 ' O ' ' N ' ' A' ' 26' ' ' HIS . 25.4 m-85 -92.46 -22.78 19.41 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 177.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.635 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -18.67 -75.94 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.441 0 CA-C-O 121.537 0.684 . . . . 0.0 110.677 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 24' ' ' LEU . 3.6 mp -73.32 -35.28 66.03 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.934 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 5.2 t60 -56.46 -31.97 64.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.903 . . . . 0.0 109.141 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.7 t60 -79.17 -55.78 4.85 Favored 'General case' 0 C--N 1.307 -1.258 0 O-C-N 121.321 -0.862 . . . . 0.0 110.285 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.2 mt -72.34 -6.71 45.22 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.392 -0.817 . . . . 0.0 109.715 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.708 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 31.5 mm -147.94 57.18 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.276 -0.89 . . . . 0.0 109.614 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.934 ' HB3' ' O ' ' A' ' 25' ' ' HIS . . . 162.35 93.75 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.287 -0.883 . . . . 0.0 109.53 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.516 ' C ' HD13 ' A' ' 31' ' ' ILE . 1.7 pt-20 172.61 106.24 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.215 -0.928 . . . . 0.0 109.823 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.516 HD13 ' C ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -124.75 109.02 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.257 -0.902 . . . . 0.0 109.177 179.715 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 33' ' ' THR . 0.5 OUTLIER -59.55 89.19 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.277 -0.889 . . . . 0.0 109.775 -179.719 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 32' ' ' HIS . 0.0 OUTLIER 42.96 55.67 4.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.347 -0.845 . . . . 0.0 109.54 179.821 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.406 -179.899 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 1' ' ' ALA . 6.4 p -42.15 150.96 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.38 -0.825 . . . . 0.0 109.505 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 p -49.63 138.43 14.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.219 -0.925 . . . . 0.0 109.458 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.1 tt0 -85.06 -39.4 18.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.31 -0.869 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.477 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -43.49 -39.21 3.23 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.456 -0.778 . . . . 0.0 109.758 -179.686 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -45.43 159.45 0.06 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.166 -0.959 . . . . 0.0 108.619 179.493 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.533 HD23 ' HE2' ' A' ' 13' ' ' LYS . 0.4 OUTLIER 75.3 -50.02 0.64 Allowed 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.14 -0.975 . . . . 0.0 109.691 -179.555 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 8' ' ' LEU . 14.3 tp -64.44 -8.9 15.15 Favored 'General case' 0 C--N 1.309 -1.154 0 O-C-N 120.949 -1.094 . . . . 0.0 109.985 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.549 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 10.2 m170 -78.5 -38.41 40.84 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 122.958 1.361 . . . . 0.0 107.715 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.482 ' HB3' ' O ' ' A' ' 7' ' ' LEU . 1.6 t70 -37.25 93.17 0.01 OUTLIER 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.577 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -48.2 110.52 0.34 Allowed 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.066 -1.021 . . . . 0.0 108.973 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.474 ' HA2' ' CB ' ' A' ' 16' ' ' GLN . . . 148.27 -35.93 1.13 Allowed Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.467 -1.853 . . . . 0.0 108.467 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.533 ' HE2' HD23 ' A' ' 7' ' ' LEU . 6.5 mmtt -55.21 -166.5 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.51 -0.994 . . . . 0.0 109.389 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.13 64.88 0.56 Allowed 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 123.12 1.438 . . . . 0.0 109.969 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.86 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -147.44 -51.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.281 -2.388 0 N-CA-C 102.632 -3.099 . . . . 0.0 102.632 178.537 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.86 ' H ' HD12 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -55.08 -28.99 56.55 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 173.648 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -99.31 -36.12 9.72 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 114.576 -1.193 . . . . 0.0 107.878 179.414 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.603 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 14.0 tp -49.76 -27.66 5.2 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 177.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -70.4 -43.58 69.73 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 177.565 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.676 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -77.66 -23.46 49.65 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.274 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.46 ' HB2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -62.26 -30.43 71.11 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 104.375 -2.454 . . . . 0.0 104.375 175.732 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.603 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 21.6 m-85 -92.17 -28.65 16.93 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 177.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.676 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -22.62 -73.97 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.412 0 CA-C-O 121.602 0.715 . . . . 0.0 110.562 -179.397 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.45 -38.93 88.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.506 -0.747 . . . . 0.0 109.199 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.511 ' HB2' ' HA ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -55.36 -45.2 76.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.251 -0.905 . . . . 0.0 109.451 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -59.45 -41.46 89.73 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.135 -0.978 . . . . 0.0 110.527 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' A' ' 27' ' ' LEU . 57.4 mt -73.76 1.12 11.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.243 -0.911 . . . . 0.0 110.51 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.505 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 3.9 tp -129.72 -29.6 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.936 -1.103 . . . . 0.0 110.035 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 28' ' ' ILE . . . 175.08 150.84 0.1 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.192 -0.942 . . . . 0.0 109.161 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.18 163.58 28.22 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.2 -0.937 . . . . 0.0 109.818 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.563 ' O ' HD12 ' A' ' 31' ' ' ILE . 1.5 pp -118.58 95.06 3.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 121.589 -0.694 . . . . 0.0 109.447 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 31' ' ' ILE . 0.1 OUTLIER -38.49 107.17 0.06 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.595 -0.691 . . . . 0.0 110.179 -179.637 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.02 82.79 1.73 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.289 -0.882 . . . . 0.0 109.523 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.408 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.345 0.593 . . . . 0.0 109.563 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.593 HG13 ' H ' ' A' ' 3' ' ' SER . 2.1 p -44.71 -54.04 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.327 -0.858 . . . . 0.0 109.842 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.593 ' H ' HG13 ' A' ' 2' ' ' VAL . 12.4 t -116.84 167.16 11.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.187 -0.946 . . . . 0.0 109.686 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -92.45 -53.77 4.07 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.352 -0.843 . . . . 0.0 109.446 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.489 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.9 OUTLIER -45.26 -53.43 8.37 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.467 -0.771 . . . . 0.0 109.965 -179.553 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -45.32 162.37 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.498 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.517 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.4 OUTLIER 76.83 -49.39 0.55 Allowed 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.148 -0.97 . . . . 0.0 109.431 -179.335 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.726 HD12 ' O ' ' A' ' 8' ' ' LEU . 5.0 tp -63.99 -37.78 88.69 Favored 'General case' 0 C--N 1.313 -1.005 0 O-C-N 120.804 -1.185 . . . . 0.0 109.46 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.539 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 10.6 m170 -82.94 -35.98 25.56 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 122.993 1.378 . . . . 0.0 107.848 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.603 ' HA ' ' CD ' ' A' ' 13' ' ' LYS . 0.8 OUTLIER -55.37 -20.62 12.43 Favored 'General case' 0 C--N 1.282 -2.356 0 CA-C-N 114.024 -1.444 . . . . 0.0 110.223 179.688 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.61 3.72 10.9 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.281 -0.887 . . . . 0.0 109.449 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -114.14 -1.53 23.67 Favored Glycine 0 N--CA 1.486 1.967 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.626 ' N ' HD11 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -77.14 -156.81 0.08 Allowed 'General case' 0 N--CA 1.483 1.192 0 O-C-N 121.006 -1.291 . . . . 0.0 109.815 179.769 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.843 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -86.04 56.35 3.94 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-O 122.734 1.254 . . . . 0.0 110.286 -179.504 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.817 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -109.59 -49.06 7.05 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.283 0 N-CA-C 102.739 -3.059 . . . . 0.0 102.739 176.269 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.817 ' H ' HD12 ' A' ' 15' ' ' ILE . 3.9 mt-30 -71.42 -24.84 62.11 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 104.457 -2.423 . . . . 0.0 104.457 173.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.528 ' HB2' ' HA ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -91.86 -32.49 15.3 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.682 179.536 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.843 HD23 ' O ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -49.72 -29.44 7.57 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 177.36 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.542 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -64.16 -49.81 70.62 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.348 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.689 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 5.1 ptm180 -67.5 -33.0 74.19 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.587 ' HD2' HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -53.55 -29.21 35.93 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 176.31 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.82 ' CE2' HD12 ' A' ' 18' ' ' LEU . 21.9 m-85 -97.3 -27.3 14.57 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.689 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -21.76 -66.43 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.437 0 CA-C-O 121.483 0.659 . . . . 0.0 110.713 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.508 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 2.0 mp -78.29 -40.67 36.17 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.468 -0.77 . . . . 0.0 109.523 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -58.49 -28.21 65.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.08 -1.013 . . . . 0.0 109.282 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.545 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.0 OUTLIER -71.3 -54.89 9.29 Favored 'General case' 0 C--N 1.307 -1.264 0 O-C-N 121.191 -0.943 . . . . 0.0 109.928 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 27' ' ' LEU . 4.7 mt -81.67 -5.55 58.19 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.413 -0.805 . . . . 0.0 109.92 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.713 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 16.6 mm -98.77 -1.19 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.194 -0.941 . . . . 0.0 109.536 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 28' ' ' ILE . . . 162.6 145.36 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.218 -0.926 . . . . 0.0 109.169 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -140.97 169.87 16.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.164 -0.96 . . . . 0.0 109.829 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' HIS . 1.0 OUTLIER -59.9 114.24 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 CA-C-O 121.73 0.776 . . . . 0.0 108.987 -179.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' ILE . 90.0 m-70 -40.88 127.44 2.6 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.279 0.561 . . . . 0.0 109.737 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 m -64.0 139.14 58.74 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.3 -0.875 . . . . 0.0 109.595 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.543 179.794 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 1' ' ' ALA . 7.3 p -42.36 154.28 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.303 -0.873 . . . . 0.0 109.504 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -95.58 135.25 37.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.23 -0.919 . . . . 0.0 109.433 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -54.76 -32.0 59.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.323 -0.861 . . . . 0.0 109.69 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.417 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -58.09 -11.75 2.83 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.384 -0.823 . . . . 0.0 110.655 -179.161 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.2 32.87 0.61 Allowed 'General case' 0 N--CA 1.485 1.284 0 O-C-N 120.914 -1.116 . . . . 0.0 110.148 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.549 HD22 HG23 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -119.77 -69.95 0.82 Allowed 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 179.438 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.93 HD13 ' N ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -56.46 -43.23 79.35 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.079 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.93 ' N ' HD13 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -44.05 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.525 0.679 . . . . 0.0 109.695 178.391 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.609 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 7.3 t70 -63.55 -14.18 48.7 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.47 -0.768 . . . . 0.0 110.108 -178.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 10' ' ' ASP . 4.0 tmtp? 38.35 28.54 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.498 -0.751 . . . . 0.0 110.417 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . -144.0 11.25 2.09 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.535 ' HG2' ' HB3' ' A' ' 10' ' ' ASP . 5.4 mmtp -101.61 -152.94 0.44 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.382 -1.069 . . . . 0.0 110.078 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.758 ' O ' HD23 ' A' ' 18' ' ' LEU . 2.5 m -70.26 60.88 0.2 Allowed 'General case' 0 C--N 1.289 -2.023 0 C-N-CA 118.51 -1.276 . . . . 0.0 110.732 -178.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.942 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -114.49 -46.2 4.67 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 N-CA-C 103.261 -2.866 . . . . 0.0 103.261 176.565 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.942 ' H ' HD12 ' A' ' 15' ' ' ILE . 2.7 mm-40 -69.67 -26.99 64.65 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 104.312 -2.477 . . . . 0.0 104.312 174.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -89.0 -38.68 14.25 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.817 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.758 HD23 ' O ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -49.61 -28.81 6.19 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 105.663 -1.977 . . . . 0.0 105.663 177.018 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -69.1 -58.95 3.39 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.821 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.627 ' HA ' ' CD2' ' A' ' 23' ' ' PHE . 9.1 ptm180 -59.76 -18.59 44.4 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.637 ' HD2' HD22 ' A' ' 18' ' ' LEU . 1.6 mtm-85 -70.65 -31.27 68.13 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 105.458 -2.053 . . . . 0.0 105.458 176.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 23.5 m-85 -95.68 -20.12 19.17 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 177.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.627 ' CD2' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -21.45 -79.59 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.479 0 CA-C-O 121.71 0.767 . . . . 0.0 110.302 -179.134 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.456 ' O ' ' O ' ' A' ' 27' ' ' LEU . 4.8 mp -67.99 -32.74 73.35 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.527 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 5.5 t-160 -57.61 -41.04 80.47 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 118.864 -1.135 . . . . 0.0 109.073 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.4 t60 -81.98 -50.24 9.36 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.239 -0.913 . . . . 0.0 110.079 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 28' ' ' ILE . 6.6 mt -93.88 139.52 30.79 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.34 -0.85 . . . . 0.0 109.687 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.481 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 3.9 mt 75.0 16.38 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.409 -0.807 . . . . 0.0 109.916 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.546 ' O ' ' CB ' ' A' ' 30' ' ' GLU . . . -151.54 41.2 0.69 Allowed 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.167 -0.958 . . . . 0.0 109.4 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.546 ' CB ' ' O ' ' A' ' 29' ' ' ALA . 0.3 OUTLIER 159.94 82.76 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.729 ' H ' HD12 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -119.65 106.58 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.196 -0.94 . . . . 0.0 109.391 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.33 128.68 35.35 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.269 -0.895 . . . . 0.0 109.375 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.9 p -88.77 107.53 19.02 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.177 -0.952 . . . . 0.0 109.582 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.429 179.83 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 1' ' ' ALA . 6.8 p -43.06 148.42 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.308 -0.87 . . . . 0.0 109.81 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -136.55 175.14 9.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.306 -0.871 . . . . 0.0 109.285 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.404 ' N ' ' OG ' ' A' ' 3' ' ' SER . 3.3 tp10 -73.91 -59.57 2.66 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.207 -0.933 . . . . 0.0 109.505 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.486 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.5 OUTLIER -48.57 -25.41 1.71 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.246 -0.909 . . . . 0.0 109.865 -179.714 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -48.66 172.1 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 179.039 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 70.95 -66.96 0.27 Allowed 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 -178.304 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.0 tp -69.38 -34.97 75.32 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 176.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 11.4 t-80 -80.26 5.52 14.45 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.818 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.552 ' O ' ' C ' ' A' ' 11' ' ' LYS . 4.6 t70 21.5 -94.53 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.373 0 O-C-N 122.219 -0.3 . . . . 0.0 111.578 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER 22.9 87.55 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 121.043 0.449 . . . . 0.0 110.892 179.783 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.574 ' O ' ' N ' ' A' ' 14' ' ' SER . . . 136.33 -29.45 2.8 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.607 ' O ' ' O ' ' A' ' 14' ' ' SER . 7.2 mmmt -66.44 62.46 0.04 OUTLIER 'General case' 0 CA--C 1.491 -1.313 0 O-C-N 121.659 -0.907 . . . . 0.0 109.25 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.704 ' O ' ' N ' ' A' ' 16' ' ' GLN . 41.8 p 44.28 96.2 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.58 ' C ' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -25.36 -39.41 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 179.428 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.704 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -30.8 -40.88 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 114.176 -1.375 . . . . 0.0 108.212 173.78 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.611 ' N ' ' O ' ' A' ' 14' ' ' SER . 53.1 m-20 -91.56 -44.36 9.12 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.529 -0.868 . . . . 0.0 109.099 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.573 ' HB3' ' HA ' ' A' ' 15' ' ' ILE . 42.5 tp -48.48 -26.92 2.37 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 177.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -71.67 -48.89 44.49 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.457 177.849 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.667 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -63.2 -12.57 29.22 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.21 -0.996 . . . . 0.0 109.044 -179.72 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.04 -33.9 63.9 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 176.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.535 ' O ' ' C ' ' A' ' 23' ' ' PHE . 55.4 m-85 -91.31 -21.83 20.85 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.667 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -23.47 -77.32 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.339 0 CA-C-O 121.64 0.733 . . . . 0.0 110.141 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.805 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -64.48 -38.72 91.99 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.38 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 1.02 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 7.9 t60 -52.67 -40.76 63.18 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.051 -1.03 . . . . 0.0 109.011 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.9 t60 -76.34 -65.31 0.94 Allowed 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.242 -0.911 . . . . 0.0 110.09 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.7 mt -54.61 -40.89 69.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.476 -0.765 . . . . 0.0 110.085 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.805 HD12 ' HB3' ' A' ' 24' ' ' LEU . 73.8 mt -100.73 50.76 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.131 -0.98 . . . . 0.0 109.821 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 1.02 ' HB3' ' O ' ' A' ' 25' ' ' HIS . . . 165.48 86.92 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.332 -0.855 . . . . 0.0 109.47 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -164.66 50.86 0.12 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.218 -0.926 . . . . 0.0 109.528 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 32' ' ' HIS . 5.1 mm -107.11 38.47 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.323 -0.86 . . . . 0.0 109.109 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 31' ' ' ILE . 1.2 m-70 161.98 62.9 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.06 139.14 42.62 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -0.891 . . . . 0.0 109.524 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 117.909 -1.043 . . . . 0.0 109.453 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.445 ' O ' HG12 ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.305 0.574 . . . . 0.0 109.537 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 2' ' ' VAL . 0.4 OUTLIER 49.6 19.44 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.269 -0.894 . . . . 0.0 110.176 179.224 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -51.47 168.2 0.08 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.328 -0.858 . . . . 0.0 109.282 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.588 ' HA ' HD12 ' A' ' 7' ' ' LEU . 1.5 tp10 -72.52 -64.26 0.99 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.233 -0.917 . . . . 0.0 109.608 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -48.62 -20.68 0.48 Allowed 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.35 -0.844 . . . . 0.0 110.279 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.487 ' O ' ' HA ' ' A' ' 10' ' ' ASP . 1.1 mt-30 -84.52 18.29 2.35 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.024 -1.048 . . . . 0.0 110.32 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 4' ' ' GLU . 2.0 mt -94.21 -66.73 0.9 Allowed 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 178.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 8' ' ' LEU . 6.2 tp -62.74 -45.09 94.32 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 177.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.662 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 8.3 t-160 -88.2 38.42 0.85 Allowed 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 121.722 0.772 . . . . 0.0 109.245 178.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.493 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 13.4 t70 -40.06 88.98 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.188 -0.945 . . . . 0.0 110.625 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 9' ' ' HIS . 2.5 tptt -53.7 100.46 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.992 -1.068 . . . . 0.0 109.175 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.426 ' CA ' ' OE1' ' A' ' 16' ' ' GLN . . . 155.07 -13.61 0.47 Allowed Glycine 0 N--CA 1.491 2.358 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.314 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.761 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -67.88 -155.2 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.327 0 O-C-N 120.969 -1.312 . . . . 0.0 109.142 179.729 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.911 ' C ' HD13 ' A' ' 15' ' ' ILE . 1.5 m -74.62 54.15 0.59 Allowed 'General case' 0 C--N 1.295 -1.794 0 CA-C-O 122.555 1.169 . . . . 0.0 110.699 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.911 HD13 ' C ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -116.66 -45.79 3.84 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 102.704 -3.072 . . . . 0.0 102.704 177.417 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.585 ' HA ' ' CZ ' ' A' ' 19' ' ' ARG . 7.3 mp0 -64.3 -30.13 71.19 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 104.763 -2.31 . . . . 0.0 104.763 174.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.526 ' HB2' ' HA ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -89.63 -38.97 13.54 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.552 HD12 ' HE ' ' A' ' 21' ' ' ARG . 13.5 tp -51.47 -26.77 8.82 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 105.701 -1.962 . . . . 0.0 105.701 177.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.585 ' CZ ' ' HA ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -66.94 -48.09 69.66 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.661 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -63.47 -33.51 75.72 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.078 -1.049 . . . . 0.0 108.362 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.552 ' HE ' HD12 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -53.33 -29.52 34.33 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 176.555 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.568 ' O ' ' N ' ' A' ' 26' ' ' HIS . 22.5 m-85 -95.2 -28.93 14.79 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 177.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.661 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -20.95 -60.04 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.429 0 CA-C-O 121.685 0.755 . . . . 0.0 110.328 -179.448 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 mt -76.78 -46.02 26.68 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 22' ' ' PHE . 3.6 m-70 -62.52 -14.04 37.39 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.053 -1.029 . . . . 0.0 109.378 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.568 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.8 t60 -82.43 -69.52 0.62 Allowed 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.4 -0.812 . . . . 0.0 110.437 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' HIS . 21.9 mt -43.07 -46.15 5.57 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.684 -0.635 . . . . 0.0 110.033 -179.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.43 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 29.0 mm -71.82 -14.6 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.178 -0.951 . . . . 0.0 109.967 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 26' ' ' HIS . . . 179.58 149.47 0.3 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.181 -0.949 . . . . 0.0 109.607 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -152.28 125.88 8.89 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 0.0 109.592 -179.835 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' GLU . 5.8 mm 44.49 40.89 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.316 -0.865 . . . . 0.0 109.425 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.529 ' O ' ' CG2' ' A' ' 33' ' ' THR . 0.0 OUTLIER 54.85 46.98 23.34 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.668 -0.645 . . . . 0.0 109.3 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.529 ' CG2' ' O ' ' A' ' 32' ' ' HIS . 9.6 t 40.22 48.91 2.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.656 -0.652 . . . . 0.0 109.687 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.421 -179.744 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.584 HG13 ' N ' ' A' ' 3' ' ' SER . 7.1 p -43.81 -48.48 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.176 -0.953 . . . . 0.0 109.521 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.584 ' N ' HG13 ' A' ' 2' ' ' VAL . 86.0 p -74.91 154.51 38.15 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.211 -0.931 . . . . 0.0 109.297 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 5' ' ' HIS . 1.1 tt0 -54.14 -97.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.177 -0.952 . . . . 0.0 109.726 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.561 ' ND1' ' NE2' ' A' ' 9' ' ' HIS . 1.0 OUTLIER -82.82 -28.21 30.35 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.188 -0.945 . . . . 0.0 109.931 -179.546 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.5 ' HB2' ' HB2' ' A' ' 3' ' ' SER . 1.6 mm100 -43.62 163.46 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.298 -0.877 . . . . 0.0 108.788 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 73.11 -52.05 0.71 Allowed 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.986 -1.071 . . . . 0.0 109.434 -179.371 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.483 ' HB3' ' O ' ' A' ' 5' ' ' HIS . 30.1 tp -64.02 -29.84 70.96 Favored 'General case' 0 C--N 1.309 -1.157 0 O-C-N 120.794 -1.191 . . . . 0.0 109.924 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.573 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 10.0 m170 -99.68 -30.7 11.95 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 122.656 1.217 . . . . 0.0 108.011 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -33.26 104.2 0.03 OUTLIER 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 114.406 -1.27 . . . . 0.0 110.958 178.528 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -62.43 111.24 1.94 Allowed 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.129 -0.982 . . . . 0.0 109.678 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 14' ' ' SER . . . 137.21 -18.29 3.51 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.625 ' O ' ' O ' ' A' ' 14' ' ' SER . 1.4 mmtp -68.18 62.01 0.09 Allowed 'General case' 0 CA--C 1.481 -1.698 0 O-C-N 121.811 -0.817 . . . . 0.0 109.621 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.625 ' O ' ' O ' ' A' ' 13' ' ' LYS . 0.7 OUTLIER 45.22 99.01 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 179.764 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.568 ' HA ' ' HB2' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -37.37 -29.62 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 179.015 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.607 ' N ' ' O ' ' A' ' 14' ' ' SER . 39.7 mm-40 -33.82 -40.5 0.08 Allowed 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 172.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -85.47 -50.83 6.96 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 119.671 -0.812 . . . . 0.0 109.497 179.65 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.568 ' HB2' ' HA ' ' A' ' 15' ' ' ILE . 1.6 mm? -46.68 -27.85 1.31 Allowed 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 177.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -66.63 -54.01 27.97 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 177.736 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.64 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 2.7 ptm180 -57.82 -30.66 65.91 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.591 -0.844 . . . . 0.0 109.257 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.461 ' HD2' ' HG ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -58.43 -29.79 66.4 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 105.506 -2.035 . . . . 0.0 105.506 176.652 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.547 ' O ' ' C ' ' A' ' 23' ' ' PHE . 26.8 m-85 -96.51 -23.57 16.49 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.64 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -22.71 -78.74 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.501 0 CA-C-O 121.525 0.678 . . . . 0.0 110.148 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.455 ' O ' HG12 ' A' ' 28' ' ' ILE . 4.8 mp -64.64 -37.47 87.7 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.511 -0.743 . . . . 0.0 109.061 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 22' ' ' PHE . 2.1 t-160 -54.76 -43.36 72.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.143 -0.973 . . . . 0.0 109.209 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 22' ' ' PHE . 2.0 t60 -63.63 -69.18 0.29 Allowed 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.37 -0.832 . . . . 0.0 110.038 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.7 mt -47.71 -27.07 1.78 Allowed 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.443 -0.786 . . . . 0.0 109.429 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.677 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 17.6 mm -80.26 -18.56 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.257 -0.902 . . . . 0.0 109.267 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 28' ' ' ILE . . . 164.65 133.49 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.428 -0.795 . . . . 0.0 109.133 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -69.93 56.48 0.14 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.275 -0.89 . . . . 0.0 109.846 -179.727 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 33' ' ' THR . 3.3 mp 42.78 35.82 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.337 -0.852 . . . . 0.0 109.513 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.476 ' O ' ' CG ' ' A' ' 32' ' ' HIS . 0.3 OUTLIER -53.46 87.04 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.747 -0.596 . . . . 0.0 109.603 -179.843 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 31' ' ' ILE . 32.4 p 43.6 74.76 0.11 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.879 . . . . 0.0 109.407 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 118.066 -0.969 . . . . 0.0 109.551 -179.885 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 3' ' ' SER . 37.9 t -42.42 162.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.319 -0.863 . . . . 0.0 109.783 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.489 ' N ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -46.1 119.48 2.31 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.287 -0.883 . . . . 0.0 109.1 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 6' ' ' GLN . 9.0 tm-20 -53.67 -43.52 68.93 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 0.0 109.483 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 9' ' ' HIS . 0.4 OUTLIER -45.29 -22.87 0.14 Allowed 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.39 -0.819 . . . . 0.0 110.331 -179.48 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 8' ' ' LEU . 4.2 mm-40 -47.67 171.8 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.458 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 69.48 -70.22 0.15 Allowed 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 -177.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.673 HD12 ' O ' ' A' ' 8' ' ' LEU . 4.0 tp -65.63 -31.49 72.54 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 176.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.61 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 10.7 t-160 -98.22 41.37 1.13 Allowed 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.731 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 9' ' ' HIS . 9.1 t0 -30.02 147.61 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 121.281 0.562 . . . . 0.0 110.569 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.463 ' C ' HG12 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -86.05 30.93 0.65 Allowed 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.113 -0.992 . . . . 0.0 109.97 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.471 ' O ' ' HD3' ' A' ' 13' ' ' LYS . . . -137.66 11.35 3.72 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.565 ' N ' HG13 ' A' ' 15' ' ' ILE . 24.8 mmtp -118.2 126.2 51.71 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.351 -1.088 . . . . 0.0 110.435 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.552 ' C ' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 31.4 40.27 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 122.957 1.361 . . . . 0.0 109.222 -178.848 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.942 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -93.15 -41.66 12.77 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.359 0 N-CA-C 103.465 -2.791 . . . . 0.0 103.465 177.151 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.942 ' H ' HD12 ' A' ' 15' ' ' ILE . 1.2 mm-40 -75.31 -22.17 57.89 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 104.257 -2.498 . . . . 0.0 104.257 174.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.489 ' HB2' ' HA ' ' A' ' 14' ' ' SER . 3.0 t70 -89.86 -36.93 14.78 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.131 HD22 ' CZ ' ' A' ' 22' ' ' PHE . 2.7 mt -54.07 -33.75 58.31 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 177.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.553 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -57.03 -41.13 78.02 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 114.606 -1.179 . . . . 0.0 108.134 178.002 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.667 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -84.37 -26.0 28.71 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.503 ' HB2' ' HA ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -65.94 -29.51 69.93 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 104.723 -2.325 . . . . 0.0 104.723 175.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 1.131 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 19.3 m-85 -95.73 -21.18 18.33 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.667 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -24.11 -69.05 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.315 0 CA-C-O 121.523 0.678 . . . . 0.0 110.54 -179.372 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.741 HD22 ' H ' ' A' ' 24' ' ' LEU . 1.3 mm? -75.43 -37.23 60.54 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.552 -0.717 . . . . 0.0 109.434 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.433 ' HA ' ' CG2' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -67.19 -12.73 60.82 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.042 -1.036 . . . . 0.0 110.248 -179.412 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.571 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -86.52 -68.56 0.73 Allowed 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.025 -1.047 . . . . 0.0 110.904 -179.255 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.681 HD11 ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.9 -2.53 9.92 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.225 -0.922 . . . . 0.0 110.626 -178.697 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.682 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 14.9 tt -93.62 -0.49 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.823 -1.173 . . . . 0.0 109.595 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 28' ' ' ILE . . . 165.42 120.57 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.195 -0.94 . . . . 0.0 109.433 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -167.97 123.05 0.99 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.325 -0.859 . . . . 0.0 109.292 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.4 mm 48.0 40.93 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.262 -0.899 . . . . 0.0 109.411 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.426 ' O ' ' O ' ' A' ' 33' ' ' THR . 70.3 m-70 45.99 84.16 0.03 OUTLIER 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.716 -0.615 . . . . 0.0 109.738 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 32' ' ' HIS . 8.8 p 53.65 101.36 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.292 -0.88 . . . . 0.0 109.696 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.434 179.837 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 3' ' ' SER . 3.4 p -42.45 146.01 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.32 -0.862 . . . . 0.0 109.749 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.434 ' O ' HG22 ' A' ' 2' ' ' VAL . 8.1 t -77.86 173.95 11.56 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.252 -0.905 . . . . 0.0 109.338 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 5' ' ' HIS . 1.0 OUTLIER -71.24 -71.06 0.28 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.24 -0.913 . . . . 0.0 109.302 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.472 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -44.21 -34.13 1.78 Allowed 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.275 -0.891 . . . . 0.0 109.535 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.518 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -44.92 160.53 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.435 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.518 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER 74.47 -51.66 0.68 Allowed 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.098 -1.001 . . . . 0.0 109.625 -179.683 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.764 HD12 ' O ' ' A' ' 8' ' ' LEU . 6.8 tp -64.88 -14.22 58.95 Favored 'General case' 0 C--N 1.311 -1.101 0 O-C-N 120.859 -1.15 . . . . 0.0 110.0 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.514 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 11.3 m170 -70.61 -28.97 65.25 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 122.801 1.286 . . . . 0.0 107.731 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.0 OUTLIER -39.62 -28.98 0.05 OUTLIER 'General case' 0 C--N 1.283 -2.32 0 CA-C-N 114.246 -1.343 . . . . 0.0 110.113 178.031 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -42.69 91.37 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.53 -0.731 . . . . 0.0 109.519 -179.553 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.717 ' N ' HD11 ' A' ' 15' ' ' ILE . . . 163.42 -28.22 0.23 Allowed Glycine 0 N--CA 1.485 1.953 0 N-CA-C 108.459 -1.856 . . . . 0.0 108.459 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 15' ' ' ILE . 66.4 mmtt -56.35 -164.38 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.222 0 O-C-N 121.536 -0.979 . . . . 0.0 109.836 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.913 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -69.8 62.42 0.18 Allowed 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.639 1.209 . . . . 0.0 111.035 -178.117 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.964 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -119.05 -42.99 2.54 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.374 0 N-CA-C 103.504 -2.776 . . . . 0.0 103.504 176.332 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.964 ' H ' HD12 ' A' ' 15' ' ' ILE . 3.6 mm-40 -73.36 -28.42 62.03 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 104.378 -2.453 . . . . 0.0 104.378 174.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -89.98 -35.95 15.25 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.913 HD23 ' O ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -50.5 -29.52 10.7 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 105.724 -1.954 . . . . 0.0 105.724 177.173 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.507 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.5 ttm-85 -67.83 -63.33 1.08 Allowed 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.72 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 21.7 ttm-85 -55.74 -33.93 64.71 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 17' ' ' ASP . 0.7 OUTLIER -52.14 -34.66 45.56 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 105.337 -2.097 . . . . 0.0 105.337 176.771 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.602 ' O ' ' N ' ' A' ' 26' ' ' HIS . 23.7 m-85 -90.17 -28.13 19.11 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 177.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.72 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -11.27 -75.9 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.387 0 CA-C-O 121.508 0.67 . . . . 0.0 111.367 -179.19 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.86 -31.82 31.38 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.929 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 1.1 m170 -63.47 -21.78 66.51 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.155 -0.965 . . . . 0.0 109.18 179.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.602 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.1 t60 -86.37 -73.78 0.45 Allowed 'General case' 0 N--CA 1.481 1.084 0 O-C-N 121.084 -1.01 . . . . 0.0 110.422 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 27' ' ' LEU . 5.5 mt -51.17 -46.68 62.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.401 -0.812 . . . . 0.0 109.981 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.708 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 14.9 mt -97.6 46.1 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.148 -0.97 . . . . 0.0 109.547 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.929 ' HB3' ' O ' ' A' ' 25' ' ' HIS . . . 162.35 117.41 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.54 -0.725 . . . . 0.0 109.058 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.558 ' O ' HG13 ' A' ' 31' ' ' ILE . 17.2 pt-20 -153.43 121.28 6.04 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.457 -0.777 . . . . 0.0 109.614 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.605 HD11 ' HB2' ' A' ' 34' ' ' ALA . 1.0 OUTLIER 31.4 84.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 CA-C-O 122.092 0.949 . . . . 0.0 110.593 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.482 ' O ' ' O ' ' A' ' 33' ' ' THR . 11.8 m-70 40.7 53.01 3.16 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.793 -0.567 . . . . 0.0 110.356 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.482 ' O ' ' O ' ' A' ' 32' ' ' HIS . 0.2 OUTLIER 44.68 96.03 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.326 -0.858 . . . . 0.0 109.839 179.428 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.605 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.387 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 1' ' ' ALA . 2.7 p -42.18 152.53 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.427 -0.795 . . . . 0.0 109.641 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.483 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -87.59 146.61 25.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.206 -0.934 . . . . 0.0 109.449 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.6 tm-20 -61.66 -65.92 0.62 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.246 -0.908 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.489 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -43.51 -38.45 2.9 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.382 -0.824 . . . . 0.0 109.641 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 1.2 mm-40 -45.51 159.09 0.07 Allowed 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.148 -0.97 . . . . 0.0 108.691 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.513 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER 75.35 -51.84 0.65 Allowed 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.182 -0.948 . . . . 0.0 109.577 -179.696 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.909 ' O ' HD13 ' A' ' 8' ' ' LEU . 2.5 tm? -61.03 -18.65 58.93 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 120.929 -1.107 . . . . 0.0 109.744 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.555 ' O ' ' N ' ' A' ' 11' ' ' LYS . 12.0 m170 -64.29 -69.95 0.25 Allowed 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.592 ' O ' ' C ' ' A' ' 11' ' ' LYS . 4.3 t0 28.02 -88.27 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.596 176.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.4 OUTLIER 1.37 83.95 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.324 0 CA-C-O 121.374 0.607 . . . . 0.0 111.591 179.62 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 14' ' ' SER . . . 143.74 -21.04 2.18 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 108.416 -1.874 . . . . 0.0 108.416 -179.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.627 ' O ' ' O ' ' A' ' 14' ' ' SER . 9.6 mmtt -68.41 62.04 0.09 Allowed 'General case' 0 CA--C 1.482 -1.635 0 O-C-N 121.761 -0.847 . . . . 0.0 109.075 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.627 ' O ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 46.05 98.28 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 -179.456 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.59 HD13 ' CB ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -36.56 -30.2 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 179.092 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.619 ' N ' ' O ' ' A' ' 14' ' ' SER . 16.6 mm-40 -33.81 -40.45 0.08 Allowed 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 172.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' A' ' 14' ' ' SER . 6.4 t0 -87.0 -45.41 10.79 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 119.724 -0.79 . . . . 0.0 109.289 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.59 ' CB ' HD13 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -47.63 -27.27 1.8 Allowed 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 177.095 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -71.9 -54.49 9.87 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.811 177.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.655 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 8.1 ptm180 -57.35 -30.36 64.76 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.152 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.42 -28.59 65.39 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 105.637 -1.986 . . . . 0.0 105.637 176.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CE2' HD12 ' A' ' 18' ' ' LEU . 21.8 m-85 -97.35 -23.79 15.95 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.655 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -24.98 -75.81 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.408 0 CA-C-O 121.501 0.667 . . . . 0.0 110.413 -179.494 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.6 -45.09 76.48 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.488 -0.758 . . . . 0.0 109.003 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.5 ' O ' HG22 ' A' ' 28' ' ' ILE . 4.7 t-160 -48.24 -28.31 2.98 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.107 -0.996 . . . . 0.0 108.794 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.7 t60 -78.2 -50.68 11.47 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.299 -0.876 . . . . 0.0 109.991 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 mt -84.43 53.17 2.56 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.356 -0.84 . . . . 0.0 109.872 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.601 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 6.9 tp -155.36 -37.25 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.319 -0.863 . . . . 0.0 109.552 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 28' ' ' ILE . . . 170.9 138.7 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.149 -0.97 . . . . 0.0 109.731 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.987 ' O ' HD13 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -140.97 66.42 1.37 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.335 -0.853 . . . . 0.0 109.571 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.987 HD13 ' O ' ' A' ' 30' ' ' GLU . 2.5 mm -138.81 116.72 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.298 -0.876 . . . . 0.0 108.875 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.419 ' C ' ' OG1' ' A' ' 33' ' ' THR . 5.1 m-70 43.75 57.84 3.85 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.302 -0.874 . . . . 0.0 109.258 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.624 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.1 OUTLIER 60.37 164.66 0.07 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.22 -0.925 . . . . 0.0 109.47 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 33' ' ' THR . . . . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.47 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.511 ' O ' ' O ' ' A' ' 3' ' ' SER . 7.2 p -43.54 -35.92 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.199 -0.938 . . . . 0.0 109.572 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.511 ' O ' ' O ' ' A' ' 2' ' ' VAL . 4.9 p 39.5 98.82 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.616 -0.678 . . . . 0.0 110.587 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 3' ' ' SER . 23.6 tt0 -40.28 -44.24 1.87 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.458 -0.776 . . . . 0.0 109.73 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -45.58 -31.62 1.94 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.37 -0.831 . . . . 0.0 109.707 -179.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 1.8 mm100 -44.94 161.14 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.215 -0.928 . . . . 0.0 108.744 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.5 OUTLIER 74.16 -52.35 0.69 Allowed 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.088 -1.008 . . . . 0.0 109.617 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' A' ' 5' ' ' HIS . 33.4 tp -59.69 -29.64 68.24 Favored 'General case' 0 C--N 1.311 -1.068 0 O-C-N 121.027 -1.046 . . . . 0.0 109.825 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' A' ' 11' ' ' LYS . 11.9 m170 -68.76 -62.26 1.46 Allowed 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.21 -0.932 . . . . 0.0 108.504 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.1 t70 28.67 -87.4 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.822 176.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.56 ' N ' ' O ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -40.96 95.58 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.717 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.563 ' O ' ' N ' ' A' ' 14' ' ' SER . . . 132.95 -25.63 3.68 Favored Glycine 0 N--CA 1.484 1.851 0 N-CA-C 108.601 -1.799 . . . . 0.0 108.601 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.596 ' O ' ' O ' ' A' ' 14' ' ' SER . 6.0 mmtp -67.57 63.04 0.07 Allowed 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.495 -1.003 . . . . 0.0 108.793 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.648 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.9 OUTLIER 38.46 97.45 0.0 OUTLIER 'General case' 0 C--O 1.203 -1.393 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -179.82 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.578 ' C ' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -29.96 -37.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 178.599 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.648 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -32.62 -41.44 0.06 Allowed 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 113.823 -1.535 . . . . 0.0 108.168 174.028 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.616 ' N ' ' O ' ' A' ' 14' ' ' SER . 41.9 m-20 -90.34 -43.64 10.2 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 119.711 -0.796 . . . . 0.0 109.274 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.851 HD22 ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -49.22 -28.26 4.43 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 177.362 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -67.76 -44.44 77.48 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.84 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.687 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -69.98 -33.19 71.75 Favored 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 119.076 -1.05 . . . . 0.0 108.872 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -54.92 -27.97 47.24 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 176.333 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.851 ' CE2' HD22 ' A' ' 18' ' ' LEU . 20.5 m-85 -96.37 -26.92 15.17 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.687 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -24.45 -82.37 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.512 0 CA-C-O 121.588 0.709 . . . . 0.0 110.182 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 24' ' ' LEU . 4.3 mt -58.18 -47.55 83.04 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.517 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 3.0 t-160 -44.27 -34.32 1.88 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.393 -0.817 . . . . 0.0 108.907 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.8 OUTLIER -74.95 -74.51 0.2 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.436 -0.79 . . . . 0.0 110.156 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.7 mt -55.7 -44.1 77.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.322 -0.861 . . . . 0.0 109.86 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.651 HG22 ' N ' ' A' ' 29' ' ' ALA . 25.6 mm -76.43 -93.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.103 -0.998 . . . . 0.0 109.396 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.651 ' N ' HG22 ' A' ' 28' ' ' ILE . . . -45.66 164.22 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.212 -0.93 . . . . 0.0 109.601 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' A' ' 29' ' ' ALA . 4.7 pt-20 44.01 -173.54 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.577 0.703 . . . . 0.0 110.363 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.631 ' O ' HD12 ' A' ' 31' ' ' ILE . 1.3 pp -135.35 86.13 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 CA-C-O 121.669 0.747 . . . . 0.0 109.611 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.466 ' O ' ' CB ' ' A' ' 33' ' ' THR . 28.2 m170 50.76 83.88 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.512 -0.743 . . . . 0.0 109.407 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.475 ' N ' ' OE1' ' A' ' 30' ' ' GLU . 3.0 m 71.72 151.47 0.11 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.171 -0.956 . . . . 0.0 109.414 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 117.984 -1.008 . . . . 0.0 109.523 -179.862 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.453 ' HB2' HD12 ' A' ' 7' ' ' LEU . . . . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.566 HG13 ' N ' ' A' ' 3' ' ' SER . 7.6 p -43.96 -46.08 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.299 -0.876 . . . . 0.0 109.702 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.566 ' N ' HG13 ' A' ' 2' ' ' VAL . 41.0 t -117.04 -174.97 2.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 109.534 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 5' ' ' HIS . 0.8 OUTLIER -78.18 -61.38 2.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.346 -0.846 . . . . 0.0 109.718 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.519 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -40.43 -41.56 1.43 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.594 -0.691 . . . . 0.0 110.223 -179.361 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -47.19 160.64 0.09 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.909 -1.119 . . . . 0.0 108.539 179.454 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.515 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 75.64 -50.97 0.63 Allowed 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.151 -0.968 . . . . 0.0 109.753 -179.694 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.848 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.8 tp -56.83 -30.58 63.9 Favored 'General case' 0 C--N 1.31 -1.133 0 O-C-N 120.766 -1.208 . . . . 0.0 108.994 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.519 ' O ' ' C ' ' A' ' 10' ' ' ASP . 11.9 m170 -62.87 -61.25 2.53 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.519 ' C ' ' O ' ' A' ' 9' ' ' HIS . 3.0 t0 25.55 89.61 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.762 175.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -43.61 99.89 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.199 -0.938 . . . . 0.0 109.383 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 151.39 -35.02 0.89 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.371 -1.491 . . . . 0.0 109.371 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.866 ' HB2' HD11 ' A' ' 15' ' ' ILE . 53.9 mmtt -56.62 -162.08 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.368 -1.078 . . . . 0.0 110.166 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.829 ' C ' HD13 ' A' ' 15' ' ' ILE . 1.3 m -68.1 58.86 0.07 Allowed 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 122.357 1.075 . . . . 0.0 110.784 -178.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.866 HD11 ' HB2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -113.18 -46.92 5.34 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 N-CA-C 102.625 -3.102 . . . . 0.0 102.625 176.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.479 ' O ' ' HB3' ' A' ' 19' ' ' ARG . 4.5 mt-30 -64.56 -31.23 72.36 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 173.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -88.39 -41.39 12.85 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.353 179.455 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.547 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 9.3 tp -50.74 -27.21 6.68 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 177.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.534 ' NH1' ' HB2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -66.66 -44.58 81.49 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 177.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.629 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -72.98 -5.81 41.19 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.02 -35.84 36.71 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 103.922 -2.622 . . . . 0.0 103.922 175.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.547 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 29.7 m-85 -86.34 -24.27 25.9 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 176.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.629 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -20.91 -73.88 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.316 0 CA-C-O 121.476 0.655 . . . . 0.0 110.596 179.765 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mt -69.99 -38.32 75.98 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.4 t-160 -54.57 -44.92 73.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.242 -0.912 . . . . 0.0 109.034 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' A' ' 22' ' ' PHE . 4.1 t60 -55.16 -66.21 0.45 Allowed 'General case' 0 C--N 1.307 -1.274 0 O-C-N 121.265 -0.897 . . . . 0.0 109.601 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 26' ' ' HIS . 89.9 mt -43.74 -54.04 5.42 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.474 -0.766 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.665 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 60.9 mt -49.6 -26.88 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.259 -0.901 . . . . 0.0 109.229 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.665 ' HB2' ' O ' ' A' ' 28' ' ' ILE . . . 165.76 124.83 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.289 -0.882 . . . . 0.0 109.49 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.433 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 1.6 pt-20 -83.59 173.72 11.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.31 -0.869 . . . . 0.0 109.579 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.526 ' H ' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -78.71 104.94 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.245 -0.909 . . . . 0.0 109.2 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.554 ' CD2' ' N ' ' A' ' 32' ' ' HIS . 0.1 OUTLIER -43.67 150.9 0.21 Allowed 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.463 -0.773 . . . . 0.0 109.526 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.3 m -114.67 84.23 2.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.908 . . . . 0.0 109.409 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 118.05 -0.976 . . . . 0.0 109.514 -179.827 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.628 ' O ' HG12 ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.701 HG22 ' H ' ' A' ' 3' ' ' SER . 1.5 p 42.08 -168.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 O-C-N 121.508 -0.745 . . . . 0.0 109.956 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.701 ' H ' HG22 ' A' ' 2' ' ' VAL . 13.4 t -80.8 113.19 18.84 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.995 -1.066 . . . . 0.0 109.414 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 5' ' ' HIS . 80.6 tt0 -69.49 -37.53 77.25 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.372 -0.83 . . . . 0.0 109.657 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.483 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -42.24 -26.91 0.12 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.42 -0.8 . . . . 0.0 110.088 -179.307 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -50.07 174.86 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 178.65 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER 68.55 -67.01 0.22 Allowed 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -178.271 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 6' ' ' GLN . 9.0 tp -66.66 -32.41 73.71 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 176.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.634 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 9.3 t-160 -93.76 38.07 1.07 Allowed 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.584 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 9' ' ' HIS . 54.9 t0 -33.33 92.37 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.426 -0.797 . . . . 0.0 110.574 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.55 ' HG2' ' CE1' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -63.41 116.91 5.98 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.257 -0.902 . . . . 0.0 109.706 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.568 ' O ' ' N ' ' A' ' 14' ' ' SER . . . 135.63 -26.14 3.2 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.57 ' O ' ' O ' ' A' ' 14' ' ' SER . 0.4 OUTLIER -65.71 70.59 0.05 Allowed 'General case' 0 CA--C 1.485 -1.536 0 O-C-N 121.515 -0.991 . . . . 0.0 108.776 178.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.623 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.4 OUTLIER 28.23 99.73 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.364 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.552 ' C ' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -35.27 -33.46 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 178.171 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.601 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -33.89 -40.4 0.08 Allowed 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 113.849 -1.523 . . . . 0.0 107.979 173.483 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.623 ' N ' ' O ' ' A' ' 14' ' ' SER . 21.0 m-20 -87.08 -45.3 10.84 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 119.636 -0.826 . . . . 0.0 109.295 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.707 HD13 ' HE ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -47.61 -27.01 1.66 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 177.154 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -72.25 -52.01 18.33 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.911 -1.041 . . . . 0.0 108.983 178.158 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.646 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 7.7 ptm180 -59.36 -32.89 70.53 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 119.154 -1.018 . . . . 0.0 109.293 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.707 ' HE ' HD13 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -55.66 -28.84 57.66 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 176.686 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 23.1 m-85 -96.96 -24.89 15.61 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.646 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -23.11 -78.61 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.525 0 CA-C-O 121.385 0.612 . . . . 0.0 110.203 -179.828 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 25' ' ' HIS . 0.8 OUTLIER -63.08 -38.83 92.75 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.01 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 22' ' ' PHE . 3.0 t60 -44.31 -37.16 3.13 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 27' ' ' LEU . 2.3 t60 -76.26 -68.23 0.61 Allowed 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.635 -0.666 . . . . 0.0 109.645 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 29' ' ' ALA . 75.4 mt -51.0 -178.92 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.497 -0.752 . . . . 0.0 109.824 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.432 ' HB ' ' O ' ' A' ' 27' ' ' LEU . 23.5 mm 66.8 -59.85 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.403 -0.81 . . . . 0.0 109.773 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -163.52 90.83 0.65 Allowed 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.21 -0.931 . . . . 0.0 109.33 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.41 147.08 52.59 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.387 -0.821 . . . . 0.0 109.776 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -55.54 113.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.356 -0.84 . . . . 0.0 109.047 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 32' ' ' HIS . 57.7 t60 -71.94 55.31 0.29 Allowed 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.952 -0.467 . . . . 0.0 109.808 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 32' ' ' HIS . 36.8 p 41.77 57.41 3.12 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.311 -0.868 . . . . 0.0 109.62 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.65 -179.85 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.281 0.563 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.1 p -52.12 153.09 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.201 -0.937 . . . . 0.0 109.849 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 t -139.94 148.97 42.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 0.0 109.346 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.689 ' HA ' HD12 ' A' ' 7' ' ' LEU . 22.8 tt0 -65.72 -56.42 12.14 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.261 -0.9 . . . . 0.0 109.632 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 0.4 OUTLIER -47.95 -22.13 0.54 Allowed 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.285 -0.884 . . . . 0.0 110.012 -179.513 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.489 ' O ' ' HA ' ' A' ' 10' ' ' ASP . 0.5 OUTLIER -84.86 21.53 1.56 Allowed 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.16 -0.962 . . . . 0.0 110.481 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -102.0 -66.7 0.91 Allowed 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 178.21 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.013 HD13 ' N ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -61.51 -44.6 96.77 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 177.115 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 1.013 ' N ' HD13 ' A' ' 8' ' ' LEU . 7.4 t-160 -93.96 44.21 1.12 Allowed 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.489 ' HA ' ' O ' ' A' ' 6' ' ' GLN . 2.8 t70 -39.07 92.34 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.336 -0.852 . . . . 0.0 110.455 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' A' ' 9' ' ' HIS . 3.0 tmtt? -63.76 103.63 0.58 Allowed 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.328 -0.858 . . . . 0.0 109.109 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 14' ' ' SER . . . 141.57 -15.53 2.68 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.583 ' O ' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -68.43 62.05 0.09 Allowed 'General case' 0 CA--C 1.481 -1.702 0 O-C-N 121.62 -0.929 . . . . 0.0 109.17 179.058 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.617 ' O ' ' N ' ' A' ' 16' ' ' GLN . 7.8 p 42.46 95.09 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.715 ' CD1' HD23 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -36.07 -31.74 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 179.291 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.617 ' N ' ' O ' ' A' ' 14' ' ' SER . 41.8 mm-40 -31.78 -42.09 0.05 Allowed 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.293 -1.321 . . . . 0.0 107.652 172.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.4 OUTLIER -87.9 -49.77 6.87 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 119.589 -0.845 . . . . 0.0 109.875 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.715 HD23 ' CD1' ' A' ' 15' ' ' ILE . 49.1 tp -49.49 -26.82 3.68 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -65.2 -44.52 88.11 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 177.704 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.655 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -71.82 -15.5 62.15 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.49 -33.05 68.92 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 104.756 -2.312 . . . . 0.0 104.756 176.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.611 ' O ' ' N ' ' A' ' 26' ' ' HIS . 24.7 m-85 -93.53 -20.61 20.09 Favored 'General case' 0 C--O 1.203 -1.35 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 177.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.655 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -23.88 -54.61 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.344 0 CA-C-O 121.557 0.694 . . . . 0.0 110.617 -179.498 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.6 mt -94.45 -26.65 16.39 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.412 -0.805 . . . . 0.0 108.968 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 22' ' ' PHE . 7.0 t60 -76.48 -21.54 55.69 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.309 -0.869 . . . . 0.0 109.684 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.611 ' N ' ' O ' ' A' ' 22' ' ' PHE . 2.1 t60 -78.36 -49.99 12.57 Favored 'General case' 0 C--N 1.308 -1.234 0 O-C-N 121.228 -0.92 . . . . 0.0 110.733 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.9 mt -79.25 9.19 4.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.353 -0.842 . . . . 0.0 110.106 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.603 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 2.6 tp -120.31 -10.46 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 120.984 -1.073 . . . . 0.0 109.638 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 28' ' ' ILE . . . 170.58 159.54 0.07 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.202 -0.936 . . . . 0.0 109.939 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -171.84 136.52 0.92 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.383 -0.823 . . . . 0.0 109.1 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.19 39.97 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.037 -1.039 . . . . 0.0 109.9 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.4 ' C ' ' OG1' ' A' ' 33' ' ' THR . 37.5 m-70 -107.58 51.17 0.75 Allowed 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.558 -0.714 . . . . 0.0 109.436 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 32' ' ' HIS . 0.2 OUTLIER 49.04 58.33 5.49 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.26 -0.9 . . . . 0.0 109.163 -179.635 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 118.022 -0.989 . . . . 0.0 109.457 -179.797 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.481 ' O ' ' O ' ' A' ' 3' ' ' SER . 4.9 p -45.83 -25.51 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.121 -0.987 . . . . 0.0 109.455 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.481 ' O ' ' O ' ' A' ' 2' ' ' VAL . 5.1 p 38.53 97.04 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.56 -0.713 . . . . 0.0 110.763 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 5' ' ' HIS . 53.4 tt0 -43.36 -47.4 6.81 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.215 -0.928 . . . . 0.0 109.815 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.484 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -42.19 -31.27 0.36 Allowed 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.442 -0.786 . . . . 0.0 110.236 -179.209 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 5.0 mm100 -49.07 172.85 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER 71.93 -66.71 0.29 Allowed 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 -178.233 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.4 tp -71.41 -37.35 71.51 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 177.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.513 ' O ' ' C ' ' A' ' 10' ' ' ASP . 12.1 t-80 -71.49 -5.16 31.02 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.935 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' A' ' 9' ' ' HIS . 4.2 t0 28.07 79.85 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.243 0.544 . . . . 0.0 111.64 178.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -46.9 -25.13 0.71 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.13 -0.981 . . . . 0.0 108.875 179.225 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.587 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . -178.21 -28.68 0.04 OUTLIER Glycine 0 N--CA 1.491 2.301 0 C-N-CA 119.886 -1.149 . . . . 0.0 110.276 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.629 ' N ' HG13 ' A' ' 15' ' ' ILE . 41.2 mmtt 52.14 133.93 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.589 -0.948 . . . . 0.0 111.752 178.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.559 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.9 OUTLIER 39.08 35.86 0.15 Allowed 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 123.239 1.495 . . . . 0.0 107.149 -177.84 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.744 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -84.78 -52.37 12.55 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.03 0 N-CA-C 103.041 -2.948 . . . . 0.0 103.041 178.46 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.744 ' H ' HD12 ' A' ' 15' ' ' ILE . 2.9 mt-30 -63.99 -19.64 65.31 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 174.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB2' ' CA ' ' A' ' 14' ' ' SER . 5.7 m-20 -92.63 -31.37 15.18 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.587 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 1.6 pp -47.24 -29.01 2.14 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 177.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.8 ttm180 -69.15 -53.28 20.94 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 114.355 -1.293 . . . . 0.0 107.91 176.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.658 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 6.5 ptm180 -67.43 -35.36 79.1 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.73 -27.9 31.1 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 176.452 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 12.6 m-30 -97.06 -27.24 14.68 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.658 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -22.16 -76.12 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.475 0 CA-C-O 121.502 0.668 . . . . 0.0 110.394 -179.797 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mt -66.92 -42.2 85.77 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.426 -0.796 . . . . 0.0 108.862 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.8 OUTLIER -48.42 -39.19 21.78 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.235 -0.915 . . . . 0.0 108.747 179.496 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.451 ' O ' ' O ' ' A' ' 29' ' ' ALA . 1.7 t60 -68.33 -62.34 1.44 Allowed 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.487 -0.758 . . . . 0.0 109.931 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 29' ' ' ALA . 49.0 mt -63.38 -166.92 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.435 -0.791 . . . . 0.0 109.727 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.494 ' HB ' ' O ' ' A' ' 27' ' ' LEU . 90.3 mt 66.04 -57.64 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.534 -0.729 . . . . 0.0 109.864 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -146.85 178.52 8.27 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.174 -0.954 . . . . 0.0 109.261 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.46 ' HG3' ' C ' ' A' ' 29' ' ' ALA . 3.3 mt-10 59.19 114.16 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.091 -1.005 . . . . 0.0 109.493 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.567 HG22 ' O ' ' A' ' 31' ' ' ILE . 16.4 mm -133.76 36.96 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.146 -0.972 . . . . 0.0 109.321 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.547 ' CG ' ' C ' ' A' ' 31' ' ' ILE . 0.8 OUTLIER 165.4 71.85 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.97 54.78 0.88 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -0.852 . . . . 0.0 109.535 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.492 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.233 0.539 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.3 p -44.98 149.13 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.313 -0.867 . . . . 0.0 109.565 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 p -56.57 177.66 0.07 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.411 -0.805 . . . . 0.0 109.56 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 6' ' ' GLN . 7.8 tt0 -103.45 -35.39 8.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.236 -0.915 . . . . 0.0 109.541 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.478 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -40.76 -28.37 0.07 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.584 -0.698 . . . . 0.0 109.959 -179.476 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -46.94 168.5 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.049 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.8 OUTLIER 68.01 -69.16 0.15 Allowed 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.668 -1.27 . . . . 0.0 107.673 -178.457 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 6' ' ' GLN . 17.6 tp -61.36 -52.93 62.57 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 177.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.486 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 0.7 OUTLIER -42.7 -68.97 0.15 Allowed 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.155 178.264 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.486 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 8.8 t0 -94.29 68.08 3.58 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.554 -0.716 . . . . 0.0 109.807 -179.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ASP . 3.2 tttt -44.2 -37.36 3.13 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.082 -1.011 . . . . 0.0 109.23 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.824 ' O ' HG23 ' A' ' 15' ' ' ILE . . . 159.9 36.88 0.02 OUTLIER Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.639 ' O ' ' O ' ' A' ' 12' ' ' GLY . 39.3 mmtm -23.56 151.9 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.372 0 CA-C-O 121.993 0.901 . . . . 0.0 112.18 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.601 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER 48.83 35.17 6.1 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 103.248 -2.871 . . . . 0.0 103.248 -175.782 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.824 HG23 ' O ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -76.36 -57.95 5.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 104.483 -2.414 . . . . 0.0 104.483 -179.134 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.674 ' H ' HD12 ' A' ' 15' ' ' ILE . 15.9 mm-40 -57.02 -19.99 21.72 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 105.284 -2.117 . . . . 0.0 105.284 175.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.519 ' HB2' ' HA ' ' A' ' 14' ' ' SER . 0.5 OUTLIER -88.29 -39.93 14.01 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.705 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.802 HD22 ' NE ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -49.47 -29.11 6.12 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 177.119 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -68.41 -49.65 58.47 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.712 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.618 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -73.32 -10.68 60.01 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.696 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.802 ' NE ' HD22 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -76.15 -34.3 59.39 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 104.443 -2.428 . . . . 0.0 104.443 176.154 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.639 ' CE2' HD12 ' A' ' 18' ' ' LEU . 25.5 m-85 -90.42 -23.94 20.9 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.618 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -17.48 -76.25 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.327 0 CA-C-O 121.319 0.58 . . . . 0.0 111.087 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.0 mp -78.09 -29.4 49.02 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.326 -0.859 . . . . 0.0 108.996 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.649 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -65.87 -22.12 66.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.255 -0.903 . . . . 0.0 109.547 179.726 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.607 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.4 t60 -85.35 -74.03 0.42 Allowed 'General case' 0 C--N 1.309 -1.183 0 O-C-N 121.173 -0.955 . . . . 0.0 110.371 -179.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.588 HD23 ' N ' ' A' ' 27' ' ' LEU . 4.3 mt -47.46 -66.66 0.37 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.34 -0.85 . . . . 0.0 109.47 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.531 HG22 ' N ' ' A' ' 29' ' ' ALA . 70.8 mt -68.03 -90.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.229 -0.919 . . . . 0.0 109.188 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.649 ' HB3' ' HA ' ' A' ' 25' ' ' HIS . . . -54.87 170.16 0.19 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.381 -0.825 . . . . 0.0 109.397 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.62 ' C ' HD13 ' A' ' 31' ' ' ILE . 4.3 pt-20 -155.09 92.9 1.48 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.239 -0.913 . . . . 0.0 109.058 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.62 HD13 ' C ' ' A' ' 30' ' ' GLU . 2.2 mm -107.48 43.54 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.296 -0.878 . . . . 0.0 109.561 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -55.38 82.06 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.732 -0.605 . . . . 0.0 109.749 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 31' ' ' ILE . 98.1 m -132.72 71.66 1.48 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.154 -0.966 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.56 -179.818 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 1' ' ' ALA . 7.6 p -43.97 161.77 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.339 -0.85 . . . . 0.0 109.688 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.4 ' N ' HG22 ' A' ' 2' ' ' VAL . 1.0 OUTLIER -58.08 124.54 19.68 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.195 -0.941 . . . . 0.0 109.321 179.701 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.1 tt0 -72.77 -26.5 61.56 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.259 -0.901 . . . . 0.0 109.215 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.534 ' HB3' ' NE2' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -42.82 -28.88 0.28 Allowed 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.426 -0.796 . . . . 0.0 109.979 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.505 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 3.0 mt-30 -42.62 158.41 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.348 -0.845 . . . . 0.0 109.069 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER 76.01 -49.58 0.6 Allowed 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.303 -0.873 . . . . 0.0 109.734 -179.704 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 8' ' ' LEU . 9.5 tp -65.82 -9.77 31.7 Favored 'General case' 0 C--N 1.311 -1.101 0 O-C-N 120.905 -1.122 . . . . 0.0 110.205 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.557 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 10.6 m170 -80.15 -32.17 38.9 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-O 122.814 1.292 . . . . 0.0 108.053 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.472 ' OD1' ' HG2' ' A' ' 13' ' ' LYS . 10.2 t0 -39.33 92.53 0.01 OUTLIER 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 114.336 -1.302 . . . . 0.0 110.204 178.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 9' ' ' HIS . 6.2 ttmm -68.83 -4.49 16.4 Favored 'General case' 0 C--N 1.307 -1.256 0 O-C-N 121.301 -0.874 . . . . 0.0 109.478 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.588 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 140.96 -4.35 2.37 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.644 ' N ' HG13 ' A' ' 15' ' ' ILE . 20.0 mmtt 52.41 131.8 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.204 0 O-C-N 121.661 -0.905 . . . . 0.0 111.684 178.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.568 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.8 OUTLIER 40.64 37.17 0.45 Allowed 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 -177.678 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.759 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -87.03 -52.57 11.53 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.16 0 N-CA-C 103.568 -2.753 . . . . 0.0 103.568 178.647 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.759 ' H ' HD12 ' A' ' 15' ' ' ILE . 5.5 mt-30 -62.6 -22.41 66.37 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 104.825 -2.287 . . . . 0.0 104.825 174.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.512 ' HB2' ' CA ' ' A' ' 14' ' ' SER . 70.8 m-20 -89.19 -36.66 15.54 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 178.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.588 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 5.5 tp -50.31 -27.76 6.72 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 105.174 -2.158 . . . . 0.0 105.174 176.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.544 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -74.65 -56.15 5.12 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.518 -1.219 . . . . 0.0 108.124 177.767 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.678 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 1.8 ptm180 -63.64 -25.47 68.23 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 119.214 -0.994 . . . . 0.0 108.696 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -61.37 -30.73 70.71 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 105.031 -2.211 . . . . 0.0 105.031 176.382 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.588 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 17.0 m-85 -95.59 -23.58 16.99 Favored 'General case' 0 C--N 1.309 -1.196 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.678 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -27.27 -82.23 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.472 0 CA-C-O 121.66 0.743 . . . . 0.0 110.035 -179.68 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.524 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 1.3 mp -54.88 -46.23 74.72 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -49.14 -38.23 24.56 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.079 -1.013 . . . . 0.0 108.835 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 28' ' ' ILE . 3.2 t60 -66.57 -69.0 0.33 Allowed 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.616 -0.678 . . . . 0.0 110.077 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 26' ' ' HIS . 89.7 mt -36.36 -30.75 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.086 0.47 . . . . 0.0 110.455 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.524 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -107.37 -88.39 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.027 -1.046 . . . . 0.0 109.371 179.626 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.11 123.49 14.63 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.258 -0.901 . . . . 0.0 109.834 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -173.76 140.37 0.76 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.245 -0.909 . . . . 0.0 109.345 179.441 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.464 ' O ' ' O ' ' A' ' 30' ' ' GLU . 3.0 mm 56.12 111.01 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.5 -0.75 . . . . 0.0 109.599 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -78.98 92.62 4.97 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.4 -0.812 . . . . 0.0 109.665 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.35 117.53 8.73 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.2 -0.937 . . . . 0.0 109.391 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.429 179.872 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.52 ' O ' ' O ' ' A' ' 3' ' ' SER . 11.7 p -42.35 -29.98 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.31 -0.869 . . . . 0.0 109.731 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.52 ' O ' ' O ' ' A' ' 2' ' ' VAL . 1.2 p 40.51 101.5 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.637 0.732 . . . . 0.0 110.787 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 3' ' ' SER . 14.2 tt0 -43.01 -34.46 1.0 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.103 -0.998 . . . . 0.0 109.412 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.725 ' ND1' HD23 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -50.03 -19.81 0.81 Allowed 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.343 -0.848 . . . . 0.0 110.011 -179.643 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -47.25 170.24 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.146 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER 69.81 -67.47 0.23 Allowed 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -178.286 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.725 HD23 ' ND1' ' A' ' 5' ' ' HIS . 12.9 tp -59.61 -44.58 93.38 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 176.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.565 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 1.3 t-80 -48.58 -76.03 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 114.627 -1.17 . . . . 0.0 110.225 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.565 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 13.1 t0 -80.69 -45.68 16.76 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.483 -0.76 . . . . 0.0 110.366 -178.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.538 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 44.08 23.08 0.05 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.347 -0.846 . . . . 0.0 110.751 179.575 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.577 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . 110.16 -28.16 10.76 Favored Glycine 0 N--CA 1.491 2.306 0 C-N-CA 119.694 -1.241 . . . . 0.0 110.139 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.667 ' N ' HG13 ' A' ' 15' ' ' ILE . 21.3 mmtp 53.28 133.38 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.623 -0.928 . . . . 0.0 111.683 178.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.581 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER 40.92 36.67 0.44 Allowed 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 -177.149 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.753 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -85.89 -55.07 7.14 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.076 0 N-CA-C 103.553 -2.758 . . . . 0.0 103.553 178.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.753 ' H ' HD12 ' A' ' 15' ' ' ILE . 98.9 mm-40 -57.34 -23.56 49.62 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 104.922 -2.251 . . . . 0.0 104.922 175.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.444 ' C ' ' N ' ' A' ' 19' ' ' ARG . 9.2 t0 -88.78 -40.24 13.33 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 178.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.633 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 9.2 tp -50.4 -27.43 6.35 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 177.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.525 ' HG2' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -67.54 -61.67 1.78 Allowed 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.189 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.704 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -62.2 -28.02 69.38 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 178.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.503 ' HB2' ' HA ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -54.43 -34.51 61.55 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 104.638 -2.356 . . . . 0.0 104.638 176.189 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.633 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 20.9 m-85 -89.41 -28.63 19.62 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 176.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.704 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -13.58 -78.34 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.555 0 CA-C-O 121.625 0.726 . . . . 0.0 111.136 -178.869 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.887 ' O ' HG22 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -74.79 -36.89 62.5 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.469 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.601 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -53.5 -31.86 47.86 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.303 -0.873 . . . . 0.0 108.826 179.265 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 22' ' ' PHE . 4.6 t60 -75.86 -49.21 18.58 Favored 'General case' 0 C--N 1.31 -1.114 0 O-C-N 121.275 -0.891 . . . . 0.0 110.159 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -69.84 -30.72 68.28 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.377 -0.827 . . . . 0.0 109.734 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.887 HG22 ' O ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -108.24 36.65 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.146 -0.972 . . . . 0.0 109.48 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 28' ' ' ILE . . . 162.36 114.38 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.374 -0.829 . . . . 0.0 109.458 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -123.32 153.0 40.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.299 -0.875 . . . . 0.0 109.5 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.794 HD13 ' N ' ' A' ' 31' ' ' ILE . 0.4 OUTLIER -80.58 103.71 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.17 -0.956 . . . . 0.0 108.929 179.668 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -44.93 95.7 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.516 -0.74 . . . . 0.0 109.756 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -69.0 87.69 0.38 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.192 -0.942 . . . . 0.0 109.528 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.376 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.4 p -49.79 152.57 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.273 -0.892 . . . . 0.0 109.685 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.96 157.95 36.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.894 . . . . 0.0 109.27 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.4 tt0 -78.44 -64.44 1.17 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.155 -0.966 . . . . 0.0 109.628 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.487 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -42.3 -35.23 0.94 Allowed 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.374 -0.829 . . . . 0.0 109.97 -179.491 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 2.6 mt-30 -46.3 163.12 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.01 -1.056 . . . . 0.0 108.293 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER 73.08 -52.56 0.71 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.062 -1.024 . . . . 0.0 109.765 -179.693 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 8' ' ' LEU . 9.5 tp -61.37 -19.6 62.05 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 120.893 -1.129 . . . . 0.0 109.815 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.541 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 9.9 m170 -81.13 -30.41 34.53 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.794 1.283 . . . . 0.0 107.902 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.564 ' OD2' ' CG ' ' A' ' 13' ' ' LYS . 1.9 t70 -90.98 12.59 19.19 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.785 -178.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.67 ' HA ' ' HB3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -73.73 42.62 0.14 Allowed 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.997 -1.064 . . . . 0.0 110.105 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.635 ' HA2' ' CB ' ' A' ' 17' ' ' ASP . . . -161.87 15.84 0.15 Allowed Glycine 0 N--CA 1.479 1.565 0 C-N-CA 119.095 -1.526 . . . . 0.0 111.035 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.606 ' O ' HG13 ' A' ' 15' ' ' ILE . 8.1 mmtt -60.62 48.27 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.009 -1.289 . . . . 0.0 112.055 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.833 ' O ' HG23 ' A' ' 15' ' ' ILE . 2.5 t 56.69 52.77 9.17 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.368 -1.457 . . . . 0.0 108.241 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.842 HD12 ' HG2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER 164.77 -64.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.282 -2.349 0 N-CA-C 105.445 -2.058 . . . . 0.0 105.445 -178.311 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.842 ' HG2' HD12 ' A' ' 15' ' ' ILE . 3.2 mm-40 -51.37 -25.84 6.78 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 175.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.635 ' CB ' ' HA2' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -95.04 -33.25 12.78 Favored 'General case' 0 C--O 1.205 -1.259 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 177.424 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.609 ' HG ' ' CZ ' ' A' ' 22' ' ' PHE . 4.7 tp -45.91 -29.04 1.26 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 106.152 -1.795 . . . . 0.0 106.152 177.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' PHE . 3.2 ttm-85 -68.62 -51.45 42.11 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.676 -1.147 . . . . 0.0 107.933 177.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.693 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -72.83 -29.16 63.0 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.511 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -58.28 -32.31 68.3 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 104.719 -2.326 . . . . 0.0 104.719 176.28 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.609 ' CZ ' ' HG ' ' A' ' 18' ' ' LEU . 14.0 m-30 -92.51 -25.98 18.15 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.693 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -18.55 -77.33 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.509 0 CA-C-O 121.602 0.715 . . . . 0.0 110.712 -179.651 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp -70.82 -36.63 73.03 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.751 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -57.23 -24.95 58.08 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.068 -1.02 . . . . 0.0 109.067 179.742 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.543 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.5 t60 -79.7 -59.59 2.68 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.4 -0.813 . . . . 0.0 110.429 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.5 mt -65.23 -28.66 69.52 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.579 -0.7 . . . . 0.0 110.123 -179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.711 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 7.1 mm -122.05 43.38 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.127 -0.983 . . . . 0.0 109.507 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 25' ' ' HIS . . . 162.54 -178.48 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.374 -0.829 . . . . 0.0 109.503 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 178.75 143.56 0.12 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.234 -0.916 . . . . 0.0 109.511 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 31' ' ' ILE . 19.0 mm 51.07 37.48 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.315 -0.865 . . . . 0.0 109.681 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.552 ' CD2' ' CE1' ' A' ' 25' ' ' HIS . 37.8 t-80 -48.64 110.27 0.33 Allowed 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.719 -0.613 . . . . 0.0 109.382 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 32' ' ' HIS . 24.1 m 53.97 102.57 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.205 -0.935 . . . . 0.0 109.419 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.465 179.822 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 1' ' ' ALA . 2.8 p -44.02 146.98 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.286 -0.884 . . . . 0.0 109.489 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.35 158.92 28.64 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.277 -0.889 . . . . 0.0 109.652 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' HIS . 30.4 tt0 -97.69 -59.79 1.7 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.268 -0.895 . . . . 0.0 109.47 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.559 ' O ' ' N ' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -42.78 -27.68 0.19 Allowed 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.364 -0.835 . . . . 0.0 110.023 -179.761 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -45.65 167.54 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.405 179.63 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 70.81 -63.32 0.42 Allowed 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 -178.404 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 6' ' ' GLN . 10.8 tp -75.24 -30.71 60.59 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.559 ' N ' ' O ' ' A' ' 5' ' ' HIS . 6.6 t-80 -59.29 -34.44 72.28 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.137 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.599 ' O ' ' N ' ' A' ' 12' ' ' GLY . 5.1 t0 26.87 -89.04 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.239 0 CA-C-O 120.774 0.321 . . . . 0.0 111.555 178.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 1.009 ' HG2' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -40.69 89.83 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . 145.52 -31.89 1.64 Allowed Glycine 0 N--CA 1.481 1.66 0 N-CA-C 106.381 -2.687 . . . . 0.0 106.381 -178.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.595 ' O ' ' O ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -70.28 62.13 0.22 Allowed 'General case' 0 CA--C 1.479 -1.788 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 176.595 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.653 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER 53.26 92.64 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 104.542 -2.392 . . . . 0.0 104.542 -176.295 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.82 HD12 ' N ' ' A' ' 16' ' ' GLN . 2.8 pp -34.29 -32.16 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.82 ' N ' HD12 ' A' ' 15' ' ' ILE . 12.7 mm-40 -31.06 -38.44 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 173.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.611 ' N ' ' O ' ' A' ' 14' ' ' SER . 7.7 m-20 -87.56 -50.92 6.2 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 114.859 -1.064 . . . . 0.0 108.825 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.009 HD22 ' HG2' ' A' ' 11' ' ' LYS . 14.0 tp -46.89 -28.24 1.52 Allowed 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 177.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -65.89 -55.31 17.64 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 177.64 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.657 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 5.8 ptp180 -61.28 -14.0 23.14 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.585 -0.846 . . . . 0.0 108.875 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.569 ' NH2' ' CB ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -73.37 -31.01 63.67 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 104.967 -2.234 . . . . 0.0 104.967 176.134 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.539 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 20.4 m-85 -94.28 -22.97 18.04 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.657 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -22.35 -78.21 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.323 0 CA-C-O 121.678 0.751 . . . . 0.0 110.393 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.606 ' O ' HG22 ' A' ' 28' ' ' ILE . 0.3 OUTLIER -66.47 -41.99 88.21 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.715 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -50.54 -35.86 31.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.218 -0.927 . . . . 0.0 109.419 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.5 t60 -88.65 -69.41 0.71 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.187 -0.946 . . . . 0.0 110.281 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.0 mt -46.3 -34.94 4.87 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.606 -0.684 . . . . 0.0 110.414 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 24' ' ' LEU . 5.0 tt -67.2 -15.14 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.034 -1.041 . . . . 0.0 109.734 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 28' ' ' ILE . . . 49.71 95.71 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.194 -0.941 . . . . 0.0 109.137 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.592 ' C ' HD13 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -115.79 102.13 9.44 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.299 -0.875 . . . . 0.0 110.188 -179.477 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.694 HD13 ' N ' ' A' ' 31' ' ' ILE . 0.1 OUTLIER -104.35 109.03 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.238 -0.913 . . . . 0.0 108.709 179.5 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -132.61 58.23 1.77 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.148 -0.97 . . . . 0.0 109.782 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.7 m -138.64 51.06 1.84 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.315 -0.865 . . . . 0.0 109.243 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.387 -179.94 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' ALA . 2.0 p -42.18 142.71 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.388 -0.82 . . . . 0.0 109.595 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.462 ' OG ' ' HG3' ' A' ' 6' ' ' GLN . 38.4 p -54.52 117.52 3.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.366 -0.834 . . . . 0.0 109.575 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.468 ' O ' ' O ' ' A' ' 5' ' ' HIS . 13.3 tt0 -57.61 -71.47 0.1 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.403 -0.81 . . . . 0.0 109.711 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.517 ' O ' ' O ' ' A' ' 6' ' ' GLN . 2.6 m-70 -42.24 -95.61 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.46 -0.775 . . . . 0.0 110.767 -179.481 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.793 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER 42.22 -160.08 0.01 OUTLIER 'General case' 0 C--O 1.205 -1.265 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -177.813 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 6' ' ' GLN . 1.8 mt 39.49 -79.5 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.068 0 CA-C-N 119.342 0.974 . . . . 0.0 109.647 178.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.793 ' N ' ' O ' ' A' ' 6' ' ' GLN . 2.3 tp -64.6 -42.33 95.64 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.588 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 8.2 t-80 -79.25 4.62 14.5 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.013 179.545 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.542 ' C ' ' O ' ' A' ' 9' ' ' HIS . 5.3 t0 20.48 55.14 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.811 0.815 . . . . 0.0 111.419 178.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 9' ' ' HIS . 1.4 tttt -62.02 -34.19 75.75 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.8 -1.187 . . . . 0.0 109.141 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.649 ' CA ' HD23 ' A' ' 18' ' ' LEU . . . -169.42 37.41 0.2 Allowed Glycine 0 N--CA 1.48 1.568 0 N-CA-C 106.902 -2.479 . . . . 0.0 106.902 179.75 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.619 ' O ' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER 37.18 69.72 0.21 Allowed 'General case' 0 CA--C 1.479 -1.761 0 O-C-N 122.147 -0.619 . . . . 0.0 110.328 179.456 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.63 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER 57.36 97.89 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 103.957 -2.609 . . . . 0.0 103.957 -177.231 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.594 ' HA ' ' HB2' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -37.37 -28.82 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 107.362 -1.348 . . . . 0.0 107.362 -178.296 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.63 ' N ' ' O ' ' A' ' 14' ' ' SER . 42.3 mm-40 -32.55 -39.24 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 172.15 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' ILE . 1.1 m-20 -88.76 -45.42 9.8 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 119.866 -0.734 . . . . 0.0 109.628 179.57 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.649 HD23 ' CA ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -48.2 -27.18 2.28 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 177.355 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -70.12 -48.26 58.28 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 177.55 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.643 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -62.21 -16.72 55.08 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.554 -0.858 . . . . 0.0 109.157 -179.8 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -72.4 -29.93 64.19 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 176.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.533 ' O ' ' C ' ' A' ' 23' ' ' PHE . 33.7 m-85 -96.02 -21.59 17.9 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.453 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.643 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -22.65 -75.74 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.377 0 CA-C-O 121.621 0.724 . . . . 0.0 109.939 179.727 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.975 ' O ' HG23 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -66.13 -42.65 88.85 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.862 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.527 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 1.7 t60 -45.28 -38.93 6.04 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.243 -0.91 . . . . 0.0 108.709 179.283 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.572 ' CE1' ' OE1' ' A' ' 30' ' ' GLU . 4.4 t60 -77.1 -42.47 37.97 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.478 -0.764 . . . . 0.0 110.544 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 mt -83.69 4.68 27.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.276 -0.89 . . . . 0.0 110.624 -178.797 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.975 HG23 ' O ' ' A' ' 24' ' ' LEU . 28.7 pt -108.99 -41.48 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.926 -1.109 . . . . 0.0 109.68 179.834 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 28' ' ' ILE . . . 159.69 84.55 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.541 -0.724 . . . . 0.0 109.319 179.814 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.572 ' OE1' ' CE1' ' A' ' 26' ' ' HIS . 5.2 pt-20 -53.35 140.44 27.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.15 -0.969 . . . . 0.0 109.434 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.527 ' O ' ' CD1' ' A' ' 31' ' ' ILE . 1.0 OUTLIER -149.95 93.67 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.321 -0.862 . . . . 0.0 109.405 -179.808 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 55.96 56.68 5.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.191 -0.943 . . . . 0.0 109.508 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.507 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 54.9 m -102.18 128.24 48.77 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.271 -0.893 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 33' ' ' THR . . . . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.382 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 121.309 0.576 . . . . 0.0 109.46 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' ALA . 7.1 p -43.19 -29.07 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.295 -0.878 . . . . 0.0 109.674 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 6.5 t -141.36 147.87 38.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.633 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -74.77 -60.68 2.17 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.258 -0.901 . . . . 0.0 109.455 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.501 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -51.15 -19.33 1.12 Allowed 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.388 -0.82 . . . . 0.0 110.12 -179.895 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER -49.56 175.21 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.785 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 6' ' ' GLN . 2.6 mt 68.48 -68.71 0.17 Allowed 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -178.427 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 8' ' ' LEU . 7.2 tp -66.99 -30.15 70.19 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 176.603 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.626 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 10.1 t-160 -97.13 39.3 1.19 Allowed 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.633 179.473 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' A' ' 12' ' ' GLY . 2.9 t70 -28.69 93.06 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.714 -0.616 . . . . 0.0 110.552 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' HIS . 1.9 tmtp? -50.07 88.86 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.449 -0.782 . . . . 0.0 109.599 -179.732 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.56 ' O ' ' C ' ' A' ' 13' ' ' LYS . . . 147.24 -93.11 0.15 Allowed Glycine 0 N--CA 1.48 1.609 0 N-CA-C 107.308 -2.317 . . . . 0.0 107.308 -179.478 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.564 ' O ' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER 32.37 38.67 0.01 OUTLIER 'General case' 0 CA--C 1.478 -1.813 0 CA-C-N 118.002 0.901 . . . . 0.0 109.095 178.333 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.706 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER 49.57 90.89 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 -177.816 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.782 HD12 ' N ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -34.47 -27.92 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.529 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 179.23 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.771 ' H ' HD12 ' A' ' 15' ' ' ILE . 7.3 mm-40 -37.79 -31.58 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 172.06 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.706 ' N ' ' O ' ' A' ' 14' ' ' SER . 1.7 m-20 -88.71 -44.99 10.17 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.631 -1.168 . . . . 0.0 108.587 179.643 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.65 HD22 ' NE ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -43.82 -31.64 0.89 Allowed 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 105.976 -1.861 . . . . 0.0 105.976 177.438 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -65.94 -63.25 1.13 Allowed 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 176.481 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.732 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 3.3 tmm_? -55.21 -37.45 67.14 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.892 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.65 ' NE ' HD22 ' A' ' 18' ' ' LEU . 2.9 mtm-85 -51.19 -32.84 25.02 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 105.507 -2.034 . . . . 0.0 105.507 176.801 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.59 ' O ' ' N ' ' A' ' 26' ' ' HIS . 22.1 m-85 -89.95 -29.67 18.34 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 176.509 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.732 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -11.19 -74.85 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.474 0 CA-C-O 121.569 0.7 . . . . 0.0 110.957 -179.254 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.407 ' O ' ' HB ' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -75.74 -41.04 54.43 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.415 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.572 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -56.56 -27.61 58.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.168 -0.958 . . . . 0.0 109.115 179.31 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.59 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.8 t60 -77.95 -43.47 29.73 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.261 -0.899 . . . . 0.0 110.373 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.1 mt -91.33 5.38 49.48 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.294 -0.879 . . . . 0.0 110.31 -178.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.477 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 1.3 tp -98.72 15.58 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.006 -1.059 . . . . 0.0 109.145 179.511 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.498 ' C ' ' CG ' ' A' ' 30' ' ' GLU . . . 175.37 159.54 0.23 Allowed 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.517 ' C ' HD13 ' A' ' 31' ' ' ILE . 0.1 OUTLIER 54.89 101.34 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.0 -1.063 . . . . 0.0 108.518 -179.249 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.527 ' O ' ' CG ' ' A' ' 32' ' ' HIS . 0.7 OUTLIER -125.72 107.97 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.139 -0.976 . . . . 0.0 109.244 -179.512 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 31' ' ' ILE . 12.2 p80 38.6 50.99 1.66 Allowed 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 121.327 0.584 . . . . 0.0 109.956 179.766 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.99 58.55 1.77 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.234 -0.916 . . . . 0.0 109.662 -179.836 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.423 179.981 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 1' ' ' ALA . 2.9 p -43.64 -36.27 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.289 -0.882 . . . . 0.0 109.502 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -144.73 163.99 32.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.271 -0.893 . . . . 0.0 109.595 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' HIS . 2.7 tp10 -88.71 -69.94 0.68 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.267 -0.896 . . . . 0.0 109.256 179.86 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.503 ' O ' ' HB3' ' A' ' 8' ' ' LEU . 5.3 m-70 -42.97 -46.69 5.53 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.339 -0.851 . . . . 0.0 109.763 -179.878 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.525 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -45.72 161.09 0.05 OUTLIER 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.101 -0.999 . . . . 0.0 108.527 179.443 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.525 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.4 OUTLIER 75.88 -50.8 0.62 Allowed 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.226 -0.921 . . . . 0.0 109.667 -179.663 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 8' ' ' LEU . 4.1 tp -59.05 -38.41 79.29 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 120.783 -1.198 . . . . 0.0 109.123 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.515 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 11.8 m170 -72.24 -69.44 0.4 Allowed 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.778 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 9' ' ' HIS . 2.7 t0 29.18 87.33 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.539 176.245 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -43.53 102.7 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.234 -0.916 . . . . 0.0 109.716 -179.689 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.448 ' H ' ' CD1' ' A' ' 15' ' ' ILE . . . 152.23 -36.93 0.81 Allowed Glycine 0 N--CA 1.488 2.161 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.618 ' N ' HD11 ' A' ' 15' ' ' ILE . 8.9 mmtt -67.99 -159.77 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.529 -0.983 . . . . 0.0 110.087 179.67 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.537 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -84.3 54.87 3.12 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 122.712 1.244 . . . . 0.0 110.774 -178.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.756 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -119.66 -50.56 3.65 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.429 0 N-CA-C 102.48 -3.155 . . . . 0.0 102.48 176.922 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.756 ' H ' HD12 ' A' ' 15' ' ' ILE . 2.9 mm-40 -61.52 -29.7 70.16 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 104.555 -2.387 . . . . 0.0 104.555 173.763 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.537 ' HB2' ' HA ' ' A' ' 14' ' ' SER . 0.9 OUTLIER -89.95 -39.94 12.68 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.092 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.616 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 2.1 tp -47.82 -28.89 2.8 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 176.791 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.53 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -70.5 -52.01 24.94 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 177.595 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.675 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 8.3 ptm180 -66.82 -27.25 67.41 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.295 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -57.84 -31.55 66.76 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 104.981 -2.229 . . . . 0.0 104.981 176.358 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.616 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 20.5 m-85 -95.41 -25.33 16.31 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.801 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.675 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -21.55 -70.56 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.653 0 CA-C-O 121.518 0.675 . . . . 0.0 110.331 -179.534 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 28' ' ' ILE . 14.0 mt -72.6 -40.49 66.51 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.151 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.8 t60 -49.92 -43.43 49.75 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.287 -0.883 . . . . 0.0 108.83 179.248 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.5 t60 -59.73 -50.92 71.97 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.347 -0.846 . . . . 0.0 109.875 179.628 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.8 mt -83.84 14.69 3.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.524 -0.735 . . . . 0.0 110.095 -179.313 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.58 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 33.3 mt -111.06 -12.54 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.048 -1.032 . . . . 0.0 109.408 179.752 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 28' ' ' ILE . . . 172.41 116.68 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.148 -0.97 . . . . 0.0 109.845 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 4.0 pt-20 -167.95 78.05 0.15 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -0.84 . . . . 0.0 109.185 179.807 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' HIS . 8.8 mm -116.67 39.95 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.236 -0.915 . . . . 0.0 109.631 -179.698 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' ILE . 2.7 t60 44.61 60.05 3.06 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.617 -0.677 . . . . 0.0 109.519 179.882 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 m -114.85 103.64 11.15 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.214 -0.929 . . . . 0.0 109.556 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.53 -179.97 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 3' ' ' SER . 7.3 p -42.74 -38.89 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.289 -0.882 . . . . 0.0 109.827 -179.8 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.466 ' N ' HG13 ' A' ' 2' ' ' VAL . 15.2 t -119.28 162.81 18.1 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.147 -0.971 . . . . 0.0 109.699 -179.755 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 5' ' ' HIS . 18.0 tp10 -83.98 -71.01 0.53 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.291 -0.881 . . . . 0.0 109.373 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.466 ' O ' ' O ' ' A' ' 6' ' ' GLN . 1.5 m-70 -42.01 -28.39 0.17 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.379 -0.825 . . . . 0.0 109.539 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -46.82 167.35 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.917 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.507 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 0.2 OUTLIER 67.87 -69.52 0.14 Allowed 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 -178.388 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 6' ' ' GLN . 10.8 tp -56.1 -45.29 79.47 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 176.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.568 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 1.9 t-80 -45.11 -78.59 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.969 178.373 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 12' ' ' GLY . 8.4 t0 -82.87 -68.36 0.71 Allowed 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.642 -0.662 . . . . 0.0 110.38 -179.243 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.507 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . 2.9 tmtp? -47.63 88.42 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.593 -0.692 . . . . 0.0 109.25 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . 144.46 -32.9 1.71 Allowed Glycine 0 N--CA 1.484 1.885 0 N-CA-C 108.615 -1.794 . . . . 0.0 108.615 -179.475 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.605 ' O ' ' O ' ' A' ' 14' ' ' SER . 47.1 mmtt -69.16 64.46 0.14 Allowed 'General case' 0 CA--C 1.487 -1.474 0 O-C-N 121.312 -1.111 . . . . 0.0 108.648 178.699 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.609 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.3 OUTLIER 41.16 100.26 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.63 -179.836 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.547 ' C ' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -33.95 -34.88 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 177.743 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.609 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -32.64 -41.53 0.06 Allowed 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.86 173.878 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.601 ' N ' ' O ' ' A' ' 14' ' ' SER . 7.4 t70 -86.37 -47.88 8.95 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.613 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' ASP . 15.9 tp -49.06 -26.72 2.81 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 177.373 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -70.76 -49.06 50.77 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.645 177.892 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.672 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 1.0 OUTLIER -58.68 -34.72 71.58 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 119.107 -1.037 . . . . 0.0 109.194 -179.36 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.548 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 1.6 mpp_? -56.54 -27.44 57.64 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 176.658 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.602 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 20.2 m-85 -96.12 -24.87 16.1 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.063 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.672 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -24.9 -82.62 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.465 0 CA-C-O 121.917 0.865 . . . . 0.0 110.071 -179.375 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.739 ' HA ' HD12 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -52.68 -38.69 60.95 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.702 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.563 ' HB2' ' HA ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -43.03 -43.62 4.36 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.376 -0.93 . . . . 0.0 109.24 179.816 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.602 ' CE1' ' HB3' ' A' ' 22' ' ' PHE . 11.8 m-70 -78.39 -54.7 5.9 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 122.197 0.999 . . . . 0.0 109.419 179.771 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.739 HD12 ' HA ' ' A' ' 24' ' ' LEU . 50.1 mt -24.53 -88.57 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.903 -177.827 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.56 HG22 ' N ' ' A' ' 29' ' ' ALA . 18.2 mm -53.9 -84.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.116 -0.99 . . . . 0.0 108.722 179.47 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.56 ' N ' HG22 ' A' ' 28' ' ' ILE . . . -63.82 91.14 0.06 Allowed 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.238 -0.914 . . . . 0.0 109.23 179.746 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.504 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 8.6 pt-20 -92.74 150.53 20.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.141 -0.975 . . . . 0.0 109.808 -179.657 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.736 ' O ' HD12 ' A' ' 31' ' ' ILE . 1.8 pp -142.68 95.57 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 CA-C-O 121.494 0.664 . . . . 0.0 109.328 -179.61 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.524 ' CG ' ' C ' ' A' ' 31' ' ' ILE . 2.2 p80 168.34 57.02 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.255 -0.903 . . . . 0.0 109.275 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.2 m -151.32 146.56 26.1 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.24 -0.912 . . . . 0.0 109.504 -179.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.416 179.892 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 1' ' ' ALA . 12.5 p -42.88 156.42 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.367 -0.833 . . . . 0.0 109.711 -179.778 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.404 ' N ' HG22 ' A' ' 2' ' ' VAL . 28.9 t -50.87 153.52 1.75 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.309 -0.869 . . . . 0.0 109.556 -179.875 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -85.23 -30.91 23.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.363 -0.836 . . . . 0.0 109.719 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.464 ' O ' ' O ' ' A' ' 6' ' ' GLN . 3.4 t-80 -43.88 -35.28 1.9 Allowed 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.181 -0.95 . . . . 0.0 109.985 -179.575 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -45.65 164.79 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.443 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 0.3 OUTLIER 67.71 -68.18 0.17 Allowed 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 -177.936 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' A' ' 6' ' ' GLN . 6.1 tp -54.92 -45.7 74.8 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 105.466 -2.05 . . . . 0.0 105.466 176.529 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.634 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 1.7 t-80 -41.45 -82.64 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.006 178.386 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.634 ' N ' ' CG ' ' A' ' 9' ' ' HIS . 24.9 t70 -81.09 -110.98 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.535 -0.728 . . . . 0.0 109.642 -179.409 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 35.52 31.28 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.395 -0.816 . . . . 0.0 110.503 179.751 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.763 ' CA ' HD11 ' A' ' 15' ' ' ILE . . . -148.65 -36.57 0.04 OUTLIER Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 15' ' ' ILE . 4.7 mmtm -57.48 -157.19 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.313 -1.11 . . . . 0.0 110.399 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.517 ' O ' ' HB3' ' A' ' 18' ' ' LEU . 2.0 m -67.87 62.68 0.08 Allowed 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 122.325 1.059 . . . . 0.0 111.023 -177.866 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 1.013 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -111.55 -43.8 5.09 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.181 0 N-CA-C 103.398 -2.816 . . . . 0.0 103.398 176.261 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.013 ' H ' HD12 ' A' ' 15' ' ' ILE . 3.6 mt-30 -75.01 -23.94 58.3 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 103.978 -2.601 . . . . 0.0 103.978 173.908 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.481 ' HB2' ' HA ' ' A' ' 14' ' ' SER . 0.5 OUTLIER -87.57 -37.83 16.51 Favored 'General case' 0 C--O 1.21 -0.982 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.12 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.868 HD23 ' HA ' ' A' ' 15' ' ' ILE . 1.1 pp -50.76 -26.69 5.94 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 105.712 -1.958 . . . . 0.0 105.712 177.704 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -72.47 -50.59 25.01 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.633 -1.167 . . . . 0.0 108.329 178.17 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.708 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 7.9 ptm180 -71.71 -33.12 68.49 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.239 -0.984 . . . . 0.0 108.452 179.765 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' HE ' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -53.52 -28.66 32.46 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 104.951 -2.24 . . . . 0.0 104.951 175.857 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.548 ' O ' ' C ' ' A' ' 23' ' ' PHE . 10.1 m-30 -95.51 -29.56 14.31 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.991 177.759 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.708 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -23.54 -83.55 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.419 0 CA-C-O 121.509 0.671 . . . . 0.0 110.538 -179.34 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -55.66 -45.61 77.67 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.494 -0.754 . . . . 0.0 109.192 179.841 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.536 ' CA ' ' HB3' ' A' ' 30' ' ' GLU . 1.2 m170 -50.35 -54.68 19.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.976 -1.077 . . . . 0.0 109.045 179.78 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 22' ' ' PHE . 2.5 t60 -53.36 -51.56 62.07 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.178 -0.951 . . . . 0.0 108.768 179.217 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.532 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 8.9 mt -77.65 173.65 11.81 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.722 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.532 ' CG1' ' O ' ' A' ' 27' ' ' LEU . 33.2 pt 40.55 23.36 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.306 -0.871 . . . . 0.0 110.497 -179.747 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . 62.8 160.23 0.08 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.953 -1.092 . . . . 0.0 109.894 179.543 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.536 ' HB3' ' CA ' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -134.99 63.92 1.6 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.485 -0.759 . . . . 0.0 109.174 179.849 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 31' ' ' ILE . 24.1 mm -110.0 38.26 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.322 -0.861 . . . . 0.0 109.67 -179.57 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.521 ' O ' ' CB ' ' A' ' 33' ' ' THR . 6.9 m-70 -46.18 109.63 0.2 Allowed 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.659 -0.651 . . . . 0.0 109.435 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.521 ' CB ' ' O ' ' A' ' 32' ' ' HIS . 0.4 OUTLIER 76.16 124.74 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.183 -0.948 . . . . 0.0 109.48 -179.937 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.489 179.946 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 3' ' ' SER . 10.5 p -43.77 157.88 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.189 -0.944 . . . . 0.0 109.674 -179.681 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 6' ' ' GLN . 35.5 t -67.15 148.87 51.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.346 -0.846 . . . . 0.0 109.363 179.86 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' HIS . 5.5 tt0 -86.44 -74.0 0.44 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.215 -0.928 . . . . 0.0 109.668 -179.873 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.489 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -43.5 -31.54 0.73 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.398 -0.814 . . . . 0.0 109.858 -179.575 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -47.23 169.78 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.206 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.509 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER 72.95 -63.84 0.42 Allowed 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -178.269 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 6' ' ' GLN . 13.3 tp -76.26 -38.26 56.5 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 177.667 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.566 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 4.7 t-80 -55.5 -18.98 8.3 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.02 -179.827 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.542 ' C ' ' O ' ' A' ' 9' ' ' HIS . 6.2 t0 15.81 108.28 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.407 0.622 . . . . 0.0 112.339 178.789 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -72.38 10.66 0.74 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.1 -1.0 . . . . 0.0 111.274 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . -107.06 -9.8 29.22 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 179.369 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.571 ' N ' HD11 ' A' ' 15' ' ' ILE . 57.6 mmtt -55.21 -164.38 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.496 -1.002 . . . . 0.0 110.46 -179.854 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.91 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -82.81 53.46 2.4 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 122.647 1.213 . . . . 0.0 110.468 -178.885 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.869 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -111.41 -46.85 6.08 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.309 0 N-CA-C 102.857 -3.016 . . . . 0.0 102.857 176.713 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.869 ' H ' HD12 ' A' ' 15' ' ' ILE . 9.5 mm-40 -66.06 -27.9 68.44 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 104.318 -2.475 . . . . 0.0 104.318 173.868 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.528 ' HB2' ' HA ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -89.39 -40.55 12.66 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.054 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.91 HD23 ' O ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -48.4 -29.31 3.9 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 177.547 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.5 ttm-85 -64.29 -52.04 60.53 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.82 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.687 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -68.49 -31.82 71.36 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.886 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.665 ' NE ' HD22 ' A' ' 18' ' ' LEU . 2.0 mtm-85 -53.95 -30.55 47.21 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.094 -2.187 . . . . 0.0 105.094 176.184 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.839 ' CZ ' HD12 ' A' ' 18' ' ' LEU . 21.4 m-85 -92.85 -30.18 15.57 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.212 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.687 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -15.09 -74.14 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.534 0 CA-C-O 121.641 0.734 . . . . 0.0 111.052 -179.62 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.45 ' HA ' HD13 ' A' ' 24' ' ' LEU . 4.1 mm? -72.68 -40.13 66.52 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.537 -0.727 . . . . 0.0 109.166 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.547 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -57.68 -36.42 71.91 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.14 -0.975 . . . . 0.0 109.108 179.537 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.558 ' N ' ' O ' ' A' ' 22' ' ' PHE . 4.0 t60 -62.54 -63.49 1.21 Allowed 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.366 -0.834 . . . . 0.0 109.793 179.492 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 70.3 mt -49.28 -58.83 4.37 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.508 -0.745 . . . . 0.0 109.218 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.7 mm -72.34 -87.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.25 -0.906 . . . . 0.0 109.05 179.614 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.497 ' C ' ' CG ' ' A' ' 30' ' ' GLU . . . -53.27 166.91 0.22 Allowed 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.074 -1.016 . . . . 0.0 109.174 179.591 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.497 ' CG ' ' C ' ' A' ' 29' ' ' ALA . 1.6 pt-20 40.16 75.27 0.08 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.334 -0.853 . . . . 0.0 109.741 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -108.18 121.25 60.9 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 O-C-N 121.341 -0.849 . . . . 0.0 109.28 179.805 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 174.87 144.05 0.06 Allowed 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.809 -0.557 . . . . 0.0 109.649 179.835 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.65 118.19 23.69 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.255 -0.903 . . . . 0.0 109.497 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.47 179.862 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.274 0.559 . . . . 0.0 109.565 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.472 ' O ' ' O ' ' A' ' 3' ' ' SER . 9.3 p -43.17 159.76 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.265 -0.897 . . . . 0.0 109.519 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.472 ' O ' ' O ' ' A' ' 2' ' ' VAL . 10.6 p 37.88 93.88 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.63 -0.668 . . . . 0.0 110.311 179.643 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' SER . 30.8 tt0 -42.55 -41.79 3.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.216 -0.928 . . . . 0.0 109.686 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.504 ' O ' ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -45.45 -23.51 0.22 Allowed 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.274 -0.891 . . . . 0.0 110.11 -179.42 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 8' ' ' LEU . 2.1 mm-40 -49.77 175.38 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 178.808 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.508 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 70.19 -70.05 0.16 Allowed 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 -178.069 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 8' ' ' LEU . 1.2 tp -66.77 -40.04 88.08 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 105.699 -1.963 . . . . 0.0 105.699 176.508 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.616 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 10.0 t-160 -91.03 37.37 0.93 Allowed 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.413 178.802 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.485 ' OD1' ' HG2' ' A' ' 13' ' ' LYS . 6.3 t70 -34.43 94.05 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.57 -0.706 . . . . 0.0 110.626 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 9' ' ' HIS . 12.5 tptp -66.7 99.97 0.65 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.171 -0.956 . . . . 0.0 109.415 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.823 ' CA ' HD11 ' A' ' 15' ' ' ILE . . . 152.12 -30.74 0.89 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.898 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 15' ' ' ILE . 8.5 mmtt -58.23 -155.41 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.375 -1.073 . . . . 0.0 110.373 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.846 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.5 m -68.93 61.87 0.11 Allowed 'General case' 0 C--N 1.29 -1.985 0 CA-C-O 122.665 1.221 . . . . 0.0 110.777 -178.147 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 1.04 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -114.67 -41.24 3.32 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.383 0 N-CA-C 103.689 -2.708 . . . . 0.0 103.689 176.634 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.04 ' H ' HD12 ' A' ' 15' ' ' ILE . 2.0 mm-40 -74.87 -25.73 59.17 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 174.265 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -89.89 -38.38 13.75 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.416 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.846 HD23 ' O ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -49.68 -27.84 5.22 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 177.702 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.6 ttm-85 -63.77 -62.27 1.76 Allowed 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 177.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.687 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -59.89 -28.62 67.71 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 178.772 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.624 ' CZ ' ' HB3' ' A' ' 14' ' ' SER . 0.0 OUTLIER -56.3 -31.75 63.95 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 104.86 -2.274 . . . . 0.0 104.86 176.08 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.578 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 22.7 m-85 -91.82 -26.04 18.71 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 176.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.687 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -20.1 -71.13 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.428 0 CA-C-O 121.752 0.787 . . . . 0.0 110.057 -179.44 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.458 ' O ' HG12 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -68.2 -44.97 74.65 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.088 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 22' ' ' PHE . 3.3 t-160 -47.74 -45.83 29.37 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.096 -1.003 . . . . 0.0 108.356 179.125 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 27' ' ' LEU . 6.6 t60 -63.26 -62.51 1.64 Allowed 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.463 -0.773 . . . . 0.0 109.608 179.359 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 26' ' ' HIS . 70.7 mt -42.57 -39.2 2.23 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.514 -0.741 . . . . 0.0 109.307 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 24' ' ' LEU . 31.2 mm -85.41 -74.58 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.256 -0.903 . . . . 0.0 108.99 179.553 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 25' ' ' HIS . . . -73.67 119.58 18.08 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.226 -0.921 . . . . 0.0 109.259 179.724 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -177.99 70.59 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.117 -0.989 . . . . 0.0 109.588 -179.879 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 33' ' ' THR . 0.8 OUTLIER -115.72 118.08 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.383 -0.823 . . . . 0.0 109.23 179.798 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.22 87.05 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.467 -0.771 . . . . 0.0 109.756 -179.762 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.669 ' O ' HG22 ' A' ' 33' ' ' THR . 97.6 m -101.62 51.43 0.84 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.205 -0.934 . . . . 0.0 109.2 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 118.02 -0.991 . . . . 0.0 109.46 -179.983 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 1' ' ' ALA . 2.4 p -42.71 141.55 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.365 -0.834 . . . . 0.0 109.529 -179.919 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.454 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -142.77 171.62 13.81 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.337 -0.852 . . . . 0.0 109.164 179.937 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.09 -42.12 63.35 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.112 -0.993 . . . . 0.0 109.201 179.877 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 9' ' ' HIS . 1.6 m-70 -52.48 -19.03 1.95 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.321 -0.862 . . . . 0.0 109.939 -179.909 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -47.32 170.4 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 179.016 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.467 ' CB ' ' O ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER 69.32 -68.62 0.18 Allowed 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 -177.982 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.802 HD12 ' O ' ' A' ' 8' ' ' LEU . 1.4 tp -64.73 -32.81 74.65 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 105.488 -2.041 . . . . 0.0 105.488 176.321 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.636 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 9.9 t-160 -90.61 35.49 0.88 Allowed 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.5 179.249 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.541 ' C ' ' O ' ' A' ' 9' ' ' HIS . 21.6 t0 -25.81 124.46 0.06 Allowed 'General case' 0 N--CA 1.499 2.017 0 CA-C-O 121.231 0.538 . . . . 0.0 110.728 179.714 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.84 13.78 2.49 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.212 -0.93 . . . . 0.0 110.538 -179.332 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 13' ' ' LYS . . . -108.47 -15.97 12.85 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 179.761 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.901 ' HB2' HD11 ' A' ' 15' ' ' ILE . 15.3 mmtp -55.4 -164.09 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.462 -1.022 . . . . 0.0 110.26 -179.876 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.905 ' C ' HD13 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -69.34 60.95 0.13 Allowed 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 122.448 1.118 . . . . 0.0 111.076 -178.129 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.905 HD13 ' C ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -118.31 -48.7 3.84 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.138 0 N-CA-C 102.539 -3.134 . . . . 0.0 102.539 176.733 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -63.17 -31.86 73.11 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 173.839 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.526 ' HA ' ' HB2' ' A' ' 20' ' ' ARG . 19.9 t0 -85.94 -39.26 17.11 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.447 179.692 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.621 HD22 ' HE ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -52.57 -23.33 6.19 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 104.964 -2.235 . . . . 0.0 104.964 175.712 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -90.94 -63.01 1.33 Allowed 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.398 -1.274 . . . . 0.0 108.191 178.212 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.693 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -50.39 -23.12 2.18 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -179.864 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.621 ' HE ' HD22 ' A' ' 18' ' ' LEU . 6.7 mtm-85 -61.61 -44.06 97.7 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 105.18 -2.155 . . . . 0.0 105.18 177.185 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.577 ' HA ' ' HB2' ' A' ' 25' ' ' HIS . 46.8 m-85 -82.92 -19.58 37.02 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 177.495 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.693 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -27.07 -70.53 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.293 0 CA-C-O 121.504 0.669 . . . . 0.0 110.679 -179.193 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.525 ' HA ' HD13 ' A' ' 24' ' ' LEU . 3.1 mm? -69.77 -40.69 75.91 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.556 -0.715 . . . . 0.0 109.599 -179.773 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.577 ' HB2' ' HA ' ' A' ' 22' ' ' PHE . 7.8 m-70 -56.39 -42.78 78.48 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.116 -0.99 . . . . 0.0 109.31 -179.906 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.425 ' HA ' ' HB3' ' A' ' 30' ' ' GLU . 1.1 t60 -54.47 -72.78 0.06 Allowed 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.111 -0.993 . . . . 0.0 109.657 179.898 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 27' ' ' LEU . 7.8 mt -55.07 -26.95 41.18 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.495 -0.753 . . . . 0.0 109.5 -179.902 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.713 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 73.1 mt -113.1 85.12 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.201 179.736 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 28' ' ' ILE . . . 77.91 71.22 0.05 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.379 -0.826 . . . . 0.0 109.3 -179.776 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.425 ' HB3' ' HA ' ' A' ' 26' ' ' HIS . 2.9 pt-20 -85.48 107.98 17.69 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.36 -0.837 . . . . 0.0 109.607 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.485 HD13 ' N ' ' A' ' 31' ' ' ILE . 2.0 mm -95.11 110.12 23.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.311 -0.868 . . . . 0.0 109.365 179.895 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.58 ' O ' ' CG ' ' A' ' 32' ' ' HIS . 4.6 p80 -56.1 105.66 0.21 Allowed 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.468 -0.77 . . . . 0.0 109.602 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.532 HG22 ' H ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER 46.75 -171.66 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.132 -0.98 . . . . 0.0 109.456 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.532 ' H ' HG22 ' A' ' 33' ' ' THR . . . . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.352 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.502 ' O ' HG12 ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 2' ' ' VAL . 0.4 OUTLIER 52.03 18.7 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 O-C-N 121.159 -0.963 . . . . 0.0 109.667 179.503 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 3.3 t -51.81 161.51 0.54 Allowed 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.425 -0.797 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -51.04 -37.65 46.68 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.16 -0.963 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -49.51 -26.42 3.42 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.418 -0.801 . . . . 0.0 110.207 -179.568 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -47.56 172.65 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.377 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER 69.33 -62.84 0.4 Allowed 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 -178.464 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 6' ' ' GLN . 19.1 tp -77.61 -33.18 53.8 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 177.533 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.553 ' N ' ' O ' ' A' ' 5' ' ' HIS . 8.6 t-80 -75.62 -4.81 42.18 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.517 ' C ' ' O ' ' A' ' 9' ' ' HIS . 5.9 t0 24.12 -88.77 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.146 0.498 . . . . 0.0 111.77 178.77 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 9' ' ' HIS . 1.1 tptm 36.22 30.35 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.589 -0.694 . . . . 0.0 110.697 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.754 ' N ' HD11 ' A' ' 15' ' ' ILE . . . -143.04 -37.32 0.08 OUTLIER Glycine 0 N--CA 1.489 2.17 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 179.244 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.462 ' HG2' ' OD1' ' A' ' 10' ' ' ASP . 29.6 mmtt -59.52 -165.45 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.397 -1.061 . . . . 0.0 110.797 -179.704 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.622 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -72.69 58.95 0.45 Allowed 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 122.51 1.148 . . . . 0.0 111.061 -177.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.862 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -114.64 -46.91 4.77 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.278 0 N-CA-C 102.183 -3.266 . . . . 0.0 102.183 176.135 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.862 ' H ' HD12 ' A' ' 15' ' ' ILE . 26.3 mt-30 -64.81 -28.73 69.77 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 104.253 -2.499 . . . . 0.0 104.253 173.672 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.548 ' O ' ' N ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -89.68 -38.0 14.19 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.625 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.796 HD11 ' CZ ' ' A' ' 22' ' ' PHE . 12.8 tp -48.3 -28.71 3.28 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 177.11 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.475 ' HB3' ' O ' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -70.19 -50.93 35.15 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 177.623 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.599 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -73.46 -4.83 36.16 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 178.171 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.622 ' CZ ' ' HB3' ' A' ' 14' ' ' SER . 2.5 mtt-85 -82.48 -36.36 26.55 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 104.255 -2.498 . . . . 0.0 104.255 176.468 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.796 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 20.2 m-85 -86.42 -22.69 26.4 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 176.299 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.599 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -19.43 -75.72 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 CA-C-O 121.512 0.672 . . . . 0.0 110.682 179.88 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.484 ' O ' ' HB ' ' A' ' 28' ' ' ILE . 1.3 mt -72.72 -35.14 67.51 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.21 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 22' ' ' PHE . 4.4 t60 -55.59 -37.26 67.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.326 -0.859 . . . . 0.0 109.255 179.657 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' A' ' 22' ' ' PHE . 1.1 t60 -67.08 -61.37 1.96 Allowed 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.334 -0.854 . . . . 0.0 110.187 -179.856 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mt -71.29 -14.17 62.13 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.425 -0.797 . . . . 0.0 110.291 -179.131 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.713 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 47.7 mm -116.92 49.38 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.887 -1.133 . . . . 0.0 109.866 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 28' ' ' ILE . . . 162.08 -179.1 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.34 -0.85 . . . . 0.0 109.545 179.725 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.614 ' O ' HD13 ' A' ' 31' ' ' ILE . 0.3 OUTLIER 50.11 73.0 0.29 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.273 -0.892 . . . . 0.0 109.196 -179.918 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.614 HD13 ' O ' ' A' ' 30' ' ' GLU . 17.6 mm -144.57 44.19 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.436 -0.79 . . . . 0.0 108.913 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' ILE . 3.2 m-70 -38.17 105.37 0.04 OUTLIER 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.329 0.585 . . . . 0.0 110.161 -179.577 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.01 67.23 0.67 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.364 -0.835 . . . . 0.0 109.266 179.884 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.435 179.886 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 3' ' ' SER . 2.9 p -43.26 158.51 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.228 -0.92 . . . . 0.0 109.663 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.487 ' OG ' ' N ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -87.2 -172.33 3.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.218 -0.926 . . . . 0.0 109.407 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.487 ' N ' ' OG ' ' A' ' 3' ' ' SER . 1.4 tt0 -100.15 -62.5 1.23 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.3 -0.875 . . . . 0.0 109.839 -179.758 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.464 ' O ' ' HB3' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -61.73 -9.87 7.42 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.369 -0.832 . . . . 0.0 110.633 -179.229 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.04 20.14 1.96 Allowed 'General case' 0 C--N 1.306 -1.289 0 O-C-N 120.946 -1.096 . . . . 0.0 110.446 -179.847 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.5 -68.46 0.8 Allowed 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 178.625 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.0 tp -62.68 -44.11 97.09 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 178.05 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.52 ' O ' ' C ' ' A' ' 10' ' ' ASP . 3.7 t-80 -52.71 -52.62 55.41 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.823 -0.548 . . . . 0.0 110.131 -179.785 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.549 ' O ' ' N ' ' A' ' 12' ' ' GLY . 19.2 t0 28.79 -99.94 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.147 0 O-C-N 121.943 -0.473 . . . . 0.0 111.013 179.251 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER 33.54 32.26 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.621 -0.675 . . . . 0.0 110.473 179.574 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 10' ' ' ASP . . . -142.16 -33.89 0.11 Allowed Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.763 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.605 ' N ' HD11 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -55.11 -163.42 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.365 -1.079 . . . . 0.0 109.956 179.881 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.489 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -77.56 59.8 2.01 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 118.157 -1.417 . . . . 0.0 110.893 -178.488 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.893 HD12 ' H ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -121.29 -48.22 2.82 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.269 0 N-CA-C 102.729 -3.063 . . . . 0.0 102.729 176.623 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.893 ' H ' HD12 ' A' ' 15' ' ' ILE . 7.8 mm-40 -66.39 -28.31 68.53 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 104.6 -2.37 . . . . 0.0 104.6 174.022 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.519 ' O ' ' N ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -90.31 -37.38 14.1 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 179.143 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.618 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 3.4 tp -50.04 -27.5 5.64 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 176.837 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 23' ' ' PHE . 1.5 ttm-85 -71.43 -57.69 4.21 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 177.532 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.637 ' HA ' ' CG ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -64.44 -11.94 38.45 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 179.356 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -74.71 -33.93 62.49 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 104.586 -2.376 . . . . 0.0 104.586 176.146 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.618 ' CE2' ' HG ' ' A' ' 18' ' ' LEU . 23.7 m-85 -90.94 -22.69 20.73 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 176.813 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.637 ' CG ' ' HA ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -20.61 -69.97 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.427 0 CA-C-O 121.69 0.757 . . . . 0.0 110.578 179.903 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.83 ' HA ' HD11 ' A' ' 27' ' ' LEU . 3.8 mt -76.75 -33.97 58.08 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.557 -0.715 . . . . 0.0 109.287 179.901 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -69.1 -13.71 62.59 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.126 -0.984 . . . . 0.0 110.368 -179.761 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.57 ' N ' ' O ' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -87.5 -64.27 1.17 Allowed 'General case' 0 C--N 1.307 -1.255 0 O-C-N 120.971 -1.08 . . . . 0.0 111.265 -178.913 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.83 HD11 ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -67.05 -1.78 4.62 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.266 -0.896 . . . . 0.0 111.281 -178.273 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.721 HG23 ' O ' ' A' ' 24' ' ' LEU . 2.4 pp -96.1 3.17 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 120.636 -1.29 . . . . 0.0 109.634 179.353 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 28' ' ' ILE . . . 172.08 82.55 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.077 -1.014 . . . . 0.0 109.774 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -129.05 50.37 2.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.28 -0.888 . . . . 0.0 109.061 179.708 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 mt -81.16 122.14 35.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.415 -0.803 . . . . 0.0 109.443 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.18 54.09 1.95 Allowed 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.668 -0.645 . . . . 0.0 109.659 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.3 p -122.71 115.29 21.82 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.258 -0.902 . . . . 0.0 109.481 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.487 -179.999 . . . . . . . . 0 0 . 1 stop_ save_