data_2m5q_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 2m5q _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.608 ' H ' ' CD1' ' X' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.865 0.364 . . . . 0.0 110.116 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 t70 . . . . . 0 C--N 1.331 -0.23 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.329 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 43.3 ttt85 -119.29 6.21 11.19 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.0 -41.04 2.46 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.484 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.42 -68.09 0.4 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.22 -32.69 10.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.105 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 22' ' ' PHE . . . . . 0.577 ' C ' ' H ' ' X' ' 24' ' ' GLN . 16.1 t80 -76.58 -72.62 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.812 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 23' ' ' VAL . . . . . 0.422 ' O ' ' CG1' ' X' ' 23' ' ' VAL . 91.7 t -55.09 -1.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.147 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 24' ' ' GLN . . . . . 0.638 ' NE2' ' N ' ' X' ' 25' ' ' TRP . 0.0 OUTLIER -83.15 -28.25 29.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.581 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' X' X ' 25' ' ' TRP . . . . . 0.638 ' N ' ' NE2' ' X' ' 24' ' ' GLN . 0.0 OUTLIER -100.11 -36.76 9.22 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.154 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' X' X ' 26' ' ' LEU . . . . . 0.581 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.1 tp -51.44 -35.92 41.72 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.864 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.173 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.788 0.328 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 t0 . . . . . 0 C--N 1.327 -0.391 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.174 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -120.46 3.01 10.78 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.47 -34.65 4.51 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 113.877 -1.511 . . . . 0.0 110.2 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 20' ' ' GLN . . . . . 0.511 ' C ' ' H ' ' X' ' 22' ' ' PHE . 0.0 OUTLIER -74.98 -64.92 0.95 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.25 179.771 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -8.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.21 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 22' ' ' PHE . . . . . 0.536 ' C ' ' H ' ' X' ' 24' ' ' GLN . 17.0 t80 -105.13 -70.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.303 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 23' ' ' VAL . . . . . 0.439 ' O ' ' CG1' ' X' ' 23' ' ' VAL . 77.2 t -55.87 -0.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.606 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 24' ' ' GLN . . . . . 0.694 HE21 ' N ' ' X' ' 25' ' ' TRP . 1.7 pp0? -85.19 -16.32 40.74 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.609 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 25' ' ' TRP . . . . . 0.694 ' N ' HE21 ' X' ' 24' ' ' GLN . 0.0 OUTLIER -107.87 -37.89 5.98 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.442 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 26' ' ' LEU . . . . . 0.575 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.5 tp -51.47 -35.0 38.04 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.898 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.982 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.645 ' H ' ' CD1' ' X' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.101 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 65.8 t0 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.362 179.127 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 . . . . . 0 CA--C 1.522 -0.122 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -117.17 6.96 12.88 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.03 -39.67 2.58 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 113.831 -1.531 . . . . 0.0 110.277 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -67.9 -70.88 0.23 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.314 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.38 -29.15 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.209 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 22' ' ' PHE . . . . . 0.575 ' C ' ' H ' ' X' ' 24' ' ' GLN . 15.5 t80 -80.93 -73.4 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 23' ' ' VAL . . . . . 0.404 ' O ' ' CG1' ' X' ' 23' ' ' VAL . 63.3 t -54.5 -2.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.05 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 24' ' ' GLN . . . . . 0.631 ' NE2' ' N ' ' X' ' 25' ' ' TRP . 0.0 OUTLIER -81.29 -28.14 34.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.693 0.282 . . . . 0.0 110.495 -179.773 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 25' ' ' TRP . . . . . 0.631 ' N ' ' NE2' ' X' ' 24' ' ' GLN . 0.0 OUTLIER -99.64 -40.24 7.88 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 26' ' ' LEU . . . . . 0.623 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.5 tp -46.47 -37.05 7.28 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.601 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 2.7 ppp? . . . . . 0 C--N 1.333 -0.147 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.631 -179.697 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.146 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 t0 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.842 179.645 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 10.8 ttm-85 -122.28 4.29 9.74 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.01 -34.18 3.97 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 113.937 -1.483 . . . . 0.0 110.293 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 20' ' ' GLN . . . . . 0.512 ' C ' ' H ' ' X' ' 22' ' ' PHE . 53.9 tt0 -75.2 -64.53 1.04 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.366 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.55 -7.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.295 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 22' ' ' PHE . . . . . 0.533 ' C ' ' H ' ' X' ' 24' ' ' GLN . 17.2 t80 -105.5 -70.21 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.336 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 23' ' ' VAL . . . . . 0.444 ' O ' ' CG1' ' X' ' 23' ' ' VAL . 92.6 t -55.79 -0.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.739 -179.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 24' ' ' GLN . . . . . 0.697 HE21 ' N ' ' X' ' 25' ' ' TRP . 1.6 pp0? -85.17 -16.24 41.04 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.572 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 25' ' ' TRP . . . . . 0.697 ' N ' HE21 ' X' ' 24' ' ' GLN . 0.0 OUTLIER -107.69 -38.82 5.77 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.435 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 26' ' ' LEU . . . . . 0.585 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.5 tp -50.44 -35.95 30.98 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.825 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 1.8 ppp? . . . . . 0 C--N 1.333 -0.128 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.956 -179.521 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.633 ' CD2' ' H ' ' X' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.171 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.506 179.357 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 12.2 ttm-85 -117.14 13.51 14.73 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.1 -34.02 2.14 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.231 -1.349 . . . . 0.0 110.583 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 20' ' ' GLN . . . . . 0.536 ' O ' ' NE2' ' X' ' 24' ' ' GLN . 1.0 OUTLIER -80.86 -26.49 36.9 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.079 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.87 -5.91 54.9 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 22' ' ' PHE . . . . . 0.556 ' C ' ' H ' ' X' ' 24' ' ' GLN . 20.9 t80 -108.49 -66.26 1.06 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.842 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 23' ' ' VAL . . . . . 0.449 ' O ' ' CG1' ' X' ' 23' ' ' VAL . 65.9 t -58.15 1.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.35 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 24' ' ' GLN . . . . . 0.7 ' N ' HE21 ' X' ' 24' ' ' GLN . 0.0 OUTLIER -86.68 -22.02 26.34 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.557 -179.5 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' X' X ' 25' ' ' TRP . . . . . 0.611 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -102.98 -39.66 6.83 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 178.128 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' X' X ' 26' ' ' LEU . . . . . 0.611 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 14.2 tp -47.56 -39.77 17.36 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.795 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.334 -0.102 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.631 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 8.6 t0 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.813 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 11.1 mmm-85 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -116.02 18.18 15.59 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.8 -35.52 0.79 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.649 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 20' ' ' GLN . . . . . 0.508 ' C ' ' H ' ' X' ' 22' ' ' PHE . 1.3 tt0 -75.57 -63.78 1.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.267 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -53.58 -8.67 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.979 0.419 . . . . 0.0 110.185 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 22' ' ' PHE . . . . . 0.537 ' C ' ' H ' ' X' ' 24' ' ' GLN . 17.5 t80 -105.53 -69.89 0.8 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.359 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 23' ' ' VAL . . . . . 0.426 ' O ' ' CG1' ' X' ' 23' ' ' VAL . 74.4 t -56.02 -0.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.657 -179.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 24' ' ' GLN . . . . . 0.701 HE21 ' N ' ' X' ' 25' ' ' TRP . 1.6 pp0? -85.4 -15.81 41.87 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.585 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 25' ' ' TRP . . . . . 0.701 ' N ' HE21 ' X' ' 24' ' ' GLN . 0.0 OUTLIER -108.21 -37.98 5.88 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.486 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 26' ' ' LEU . . . . . 0.567 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.4 tp -51.52 -36.15 43.56 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.817 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.122 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.774 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.62 ' CD2' ' H ' ' X' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.851 0.358 . . . . 0.0 110.18 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 39.2 t0 . . . . . 0 C--N 1.325 -0.469 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.605 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -120.14 19.55 12.21 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.96 -33.42 0.58 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.452 -178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 20' ' ' GLN . . . . . 0.513 ' C ' ' H ' ' X' ' 22' ' ' PHE . 27.6 tt0 -77.03 -62.68 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.304 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -56.88 -5.67 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.265 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 22' ' ' PHE . . . . . 0.544 ' C ' ' H ' ' X' ' 24' ' ' GLN . 16.3 t80 -107.31 -71.14 0.77 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.407 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 23' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' X' ' 23' ' ' VAL . 88.5 t -55.27 -0.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.706 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 24' ' ' GLN . . . . . 0.696 HE21 ' N ' ' X' ' 25' ' ' TRP . 1.6 pp0? -85.48 -15.61 42.32 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.539 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 25' ' ' TRP . . . . . 0.696 ' N ' HE21 ' X' ' 24' ' ' GLN . 0.0 OUTLIER -108.19 -38.7 5.69 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.499 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 26' ' ' LEU . . . . . 0.578 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.4 tp -50.83 -36.23 36.39 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.817 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.149 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.909 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.549 ' CD2' ' H ' ' X' ' 14' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.193 0 CA-C-O 121.222 0.534 . . . . 0.0 109.606 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 37.8 t70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.18 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.127 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.64 3.84 10.65 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.37 -36.44 3.36 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 113.964 -1.471 . . . . 0.0 110.233 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 20' ' ' GLN . . . . . 0.468 ' C ' ' H ' ' X' ' 22' ' ' PHE . 2.8 mt-30 -70.46 -75.66 0.12 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.989 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.74 -13.76 0.16 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.032 0.444 . . . . 0.0 110.079 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 22' ' ' PHE . . . . . 0.554 ' C ' ' H ' ' X' ' 24' ' ' GLN . 15.5 t80 -92.11 -72.99 0.56 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.091 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 23' ' ' VAL . . . . . 0.477 ' C ' HE21 ' X' ' 24' ' ' GLN . 85.3 t -54.0 -1.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.472 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 24' ' ' GLN . . . . . 0.683 ' N ' HE21 ' X' ' 24' ' ' GLN . 0.0 OUTLIER -83.77 -19.88 34.32 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.57 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 25' ' ' TRP . . . . . 0.573 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -105.78 -37.32 6.75 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.679 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 26' ' ' LEU . . . . . 0.573 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.0 tp -51.74 -33.77 36.29 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.866 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.449 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.611 ' CD2' ' H ' ' X' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.523 -0.079 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 21.1 t0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.711 179.346 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 -118.43 6.09 11.79 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.74 -41.31 2.58 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.338 -179.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -66.82 -74.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.267 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.9 -32.47 1.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.144 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 22' ' ' PHE . . . . . 0.578 ' C ' ' H ' ' X' ' 24' ' ' GLN . 16.1 t80 -76.28 -73.25 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 23' ' ' VAL . . . . . 0.436 ' O ' ' CG1' ' X' ' 23' ' ' VAL . 92.7 t -56.91 0.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.02 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 24' ' ' GLN . . . . . 0.633 ' NE2' ' N ' ' X' ' 25' ' ' TRP . 0.0 OUTLIER -86.6 -29.21 22.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.734 -179.702 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 25' ' ' TRP . . . . . 0.633 ' N ' ' NE2' ' X' ' 24' ' ' GLN . 0.0 OUTLIER -101.14 -36.68 8.87 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.029 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 26' ' ' LEU . . . . . 0.576 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.1 tp -51.58 -32.79 29.85 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.875 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.521 ' CD2' ' H ' ' X' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.798 0.332 . . . . 0.0 110.331 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 18.3 t0 . . . . . 0 C--N 1.327 -0.376 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.292 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 . . . . . 0 CA--C 1.521 -0.164 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.75 2.6 12.27 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.94 -38.13 3.47 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 113.846 -1.525 . . . . 0.0 110.199 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -69.23 -67.49 0.47 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.22 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.86 -27.76 8.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.238 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 22' ' ' PHE . . . . . 0.565 ' C ' ' H ' ' X' ' 24' ' ' GLN . 15.5 t80 -81.63 -72.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.999 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 23' ' ' VAL . . . . . 0.429 ' O ' ' CG1' ' X' ' 23' ' ' VAL . 91.0 t -55.45 -0.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.062 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 24' ' ' GLN . . . . . 0.637 ' NE2' ' N ' ' X' ' 25' ' ' TRP . 0.0 OUTLIER -83.31 -28.32 29.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.491 -179.801 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 25' ' ' TRP . . . . . 0.637 ' N ' ' NE2' ' X' ' 24' ' ' GLN . 0.0 OUTLIER -99.97 -36.76 9.27 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.093 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 26' ' ' LEU . . . . . 0.578 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.1 tp -51.44 -36.08 42.4 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.883 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.332 -0.155 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 1' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 2' ' ' AIB . . . . . 0.519 ' O ' ' N ' ' X' ' 6' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.386 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -53.79 -9.96 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.501 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 4' ' ' GLY . . . . . 0.486 ' H ' ' C ' ' X' ' 2' ' ' AIB . . . -111.17 -11.21 18.84 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 5' ' ' THR . . . . . 0.425 ' O ' ' OG1' ' X' ' 5' ' ' THR . 0.1 OUTLIER -135.71 18.61 3.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.337 . . . . 0.0 110.736 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . 0.519 ' N ' ' O ' ' X' ' 2' ' ' AIB . 31.8 t80 -105.01 -13.02 15.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.482 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 7' ' ' THR . . . . . 0.511 ' OG1' ' N ' ' X' ' 8' ' ' SER . 23.9 p -103.56 -70.46 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.574 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 8' ' ' SER . . . . . 0.511 ' N ' ' OG1' ' X' ' 7' ' ' THR . 0.3 OUTLIER -49.88 -57.06 8.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.502 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 9' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -73.09 37.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 10' ' ' TYR . . . . . 0.523 ' CD2' ' OXT' ' X' ' 101' ' ' GGL . 0.1 OUTLIER -149.4 26.8 0.85 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -118.84 9.98 12.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.462 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -129.33 30.95 4.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.502 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' X' ' 17' ' ' ARG . 6.5 tttp -133.07 -75.35 0.49 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.506 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.608 ' H ' ' CD1' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -44.47 -42.34 7.02 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.116 179.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -76.05 45.55 0.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 16' ' ' AIB . . . . . 0.476 ' H ' ' C ' ' X' ' 14' ' ' LEU 2.459 . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.835 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 17' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' X' ' 13' ' ' LYS . 6.5 tpt180 -111.63 -16.13 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.007 178.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 43.3 ttt85 -119.29 6.21 11.19 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.0 -41.04 2.46 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.484 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.42 -68.09 0.4 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.22 -32.69 10.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.105 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 22' ' ' PHE . . . . . 0.577 ' C ' ' H ' ' X' ' 24' ' ' GLN . 16.1 t80 -76.58 -72.62 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.812 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 23' ' ' VAL . . . . . 0.422 ' O ' ' CG1' ' X' ' 23' ' ' VAL . 91.7 t -55.09 -1.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.147 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 24' ' ' GLN . . . . . 0.638 ' NE2' ' N ' ' X' ' 25' ' ' TRP . 0.0 OUTLIER -83.15 -28.25 29.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.581 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 25' ' ' TRP . . . . . 0.638 ' N ' ' NE2' ' X' ' 24' ' ' GLN . 0.0 OUTLIER -100.11 -36.76 9.22 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.154 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 26' ' ' LEU . . . . . 0.581 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.1 tp -51.44 -35.92 41.72 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.864 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.9 9.81 39.38 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -99.98 5.25 45.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.432 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 4.9 p -137.51 -172.68 3.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.563 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 120.048 -1.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 101' ' ' GGL . . . . . 0.523 ' OXT' ' CD2' ' X' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 102' ' ' GGL . . . . . 0.627 ' CD ' ' H ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 1' ' ' HIS . . . . . . . . . . . . . 70.8 m80 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 2' ' ' AIB . . . . . 0.532 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.341 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 3' ' ' GLN . . . . . 0.525 ' C ' ' H ' ' X' ' 5' ' ' THR . 29.5 mt-30 53.71 -83.61 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.369 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 4' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . -56.26 -6.31 1.41 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 5' ' ' THR . . . . . 0.525 ' H ' ' C ' ' X' ' 3' ' ' GLN . 0.1 OUTLIER -135.23 -6.89 2.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.836 0.35 . . . . 0.0 110.374 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . 0.621 ' CG ' ' N ' ' X' ' 7' ' ' THR . 81.6 t80 -137.43 169.74 17.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.386 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 7' ' ' THR . . . . . 0.621 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 0.2 OUTLIER 79.18 -58.79 0.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.505 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 8' ' ' SER . . . . . . . . . . . . . 31.1 t -53.99 -70.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 9' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -53.44 -47.17 69.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.562 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 10' ' ' TYR . . . . . 0.478 ' C ' ' H ' ' X' ' 12' ' ' LYS . 32.1 m-85 -67.33 -174.2 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.489 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.22 4.95 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.546 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 12' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' X' ' 10' ' ' TYR . 10.7 mmtp -135.79 -63.22 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -85.95 -88.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.116 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.499 ' C ' ' H ' ' X' ' 16' ' ' AIB . 2.1 mp -40.22 -44.13 1.81 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.406 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -74.72 44.59 0.22 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 16' ' ' AIB . . . . . 0.499 ' H ' ' C ' ' X' ' 14' ' ' LEU 2.461 . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.31 -0.859 . . . . 0.0 108.999 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.78 -15.17 13.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.251 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -120.46 3.01 10.78 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.47 -34.65 4.51 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 113.877 -1.511 . . . . 0.0 110.2 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.511 ' C ' ' H ' ' X' ' 22' ' ' PHE . 0.0 OUTLIER -74.98 -64.92 0.95 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.25 179.771 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -8.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.21 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 22' ' ' PHE . . . . . 0.536 ' C ' ' H ' ' X' ' 24' ' ' GLN . 17.0 t80 -105.13 -70.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.303 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 23' ' ' VAL . . . . . 0.439 ' CG1' ' O ' ' X' ' 23' ' ' VAL . 77.2 t -55.87 -0.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.606 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 24' ' ' GLN . . . . . 0.694 HE21 ' N ' ' X' ' 25' ' ' TRP . 1.7 pp0? -85.19 -16.32 40.74 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.609 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 25' ' ' TRP . . . . . 0.694 ' N ' HE21 ' X' ' 24' ' ' GLN . 0.0 OUTLIER -107.87 -37.89 5.98 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.442 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 26' ' ' LEU . . . . . 0.575 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.5 tp -51.47 -35.0 38.04 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.898 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.34 9.47 42.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.982 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -93.43 -15.41 25.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.491 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 40.8 p -80.92 98.0 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.543 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 101' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 102' ' ' GGL . . . . . 0.597 ' CD ' ' H ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 103' ' ' PLM . . . . . 0.45 ' C1 ' ' O ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 1' ' ' HIS . . . . . 0.618 ' CD2' ' N ' ' X' ' 1' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 2' ' ' AIB . . . . . 0.459 ' CB2' ' O ' ' X' ' 1' ' ' HIS . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 3' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' X' ' 2' ' ' AIB . 56.5 mt-30 41.52 92.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.577 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.47 -14.21 54.26 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.18 -0.86 2.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.546 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.91 -28.52 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.563 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 50.3 p -64.47 -46.96 80.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.695 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 8' ' ' SER . . . . . . . . . . . . . 36.8 m -41.73 -79.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 9' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' X' ' 11' ' ' SER . 1.2 m-20 -41.36 -51.96 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.677 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -41.91 98.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.441 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 11' ' ' SER . . . . . 0.402 ' N ' ' O ' ' X' ' 9' ' ' ASP . 0.9 OUTLIER 169.23 -40.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.566 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -116.19 58.91 0.74 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.53 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . 0.427 ' HZ1' ' CE ' ' X' ' 103' ' ' PLM . 0.9 OUTLIER -171.76 -58.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.424 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.645 ' H ' ' CD1' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -48.12 -36.57 13.56 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.777 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -75.95 53.17 0.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.362 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 16' ' ' AIB . . . . . . . . . . . . 2.461 . . . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.07 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -117.22 -18.96 9.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.076 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -117.17 6.96 12.88 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.03 -39.67 2.58 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 113.831 -1.531 . . . . 0.0 110.277 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -67.9 -70.88 0.23 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.314 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.38 -29.15 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.209 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 22' ' ' PHE . . . . . 0.575 ' C ' ' H ' ' X' ' 24' ' ' GLN . 15.5 t80 -80.93 -73.4 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 23' ' ' VAL . . . . . 0.404 ' O ' ' CG1' ' X' ' 23' ' ' VAL . 63.3 t -54.5 -2.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.05 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 24' ' ' GLN . . . . . 0.631 ' NE2' ' N ' ' X' ' 25' ' ' TRP . 0.0 OUTLIER -81.29 -28.14 34.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.693 0.282 . . . . 0.0 110.495 -179.773 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 25' ' ' TRP . . . . . 0.631 ' N ' ' NE2' ' X' ' 24' ' ' GLN . 0.0 OUTLIER -99.64 -40.24 7.88 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 26' ' ' LEU . . . . . 0.623 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.5 tp -46.47 -37.05 7.28 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.601 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 27' ' ' MET . . . . . 0.592 ' SD ' ' N ' ' X' ' 28' ' ' ASN . 2.7 ppp? -95.19 -156.84 0.53 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.631 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 28' ' ' ASN . . . . . 0.592 ' N ' ' SD ' ' X' ' 27' ' ' MET . 1.6 t-20 59.55 2.8 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 29' ' ' THR . . . . . 0.498 ' H ' ' C ' ' X' ' 27' ' ' MET . 6.6 p -85.81 -82.6 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.99 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 101' ' ' GGL . . . . . 0.512 ' N ' ' O2 ' ' X' ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 102' ' ' GGL . . . . . 0.583 ' N ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 103' ' ' PLM . . . . . 0.512 ' O2 ' ' N ' ' X' ' 101' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 2' ' ' AIB . . . . . 0.498 ' C ' ' H ' ' X' ' 4' ' ' GLY . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.316 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.87 45.06 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.208 0.528 . . . . 0.0 109.784 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 4' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' X' ' 2' ' ' AIB . . . 91.76 50.14 2.77 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 5' ' ' THR . . . . . 0.505 ' C ' ' H ' ' X' ' 7' ' ' THR . 0.7 OUTLIER 52.56 14.6 0.41 Allowed 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . 0.528 ' O ' ' CD1' ' X' ' 6' ' ' PHE . 0.1 OUTLIER -50.48 -10.75 0.06 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.751 -179.467 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 7' ' ' THR . . . . . 0.505 ' H ' ' C ' ' X' ' 5' ' ' THR . 25.6 p -82.27 -54.19 5.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.538 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.07 -13.74 61.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.603 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -102.26 23.93 10.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.615 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 10' ' ' TYR . . . . . 0.499 ' C ' ' H ' ' X' ' 12' ' ' LYS . 1.7 t80 -87.97 -17.6 30.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.602 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 83.7 p -54.44 -7.88 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.485 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 12' ' ' LYS . . . . . 0.499 ' H ' ' C ' ' X' ' 10' ' ' TYR . 5.9 mmtp -99.21 -37.45 9.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.574 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -44.04 -79.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.547 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' X' ' 16' ' ' AIB . 0.2 OUTLIER -41.57 -46.12 3.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.042 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -73.89 46.34 0.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.842 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 16' ' ' AIB . . . . . 0.472 ' H ' ' C ' ' X' ' 14' ' ' LEU 2.459 . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.212 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.12 -12.39 13.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.211 179.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 10.8 ttm-85 -122.28 4.29 9.74 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.01 -34.18 3.97 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 113.937 -1.483 . . . . 0.0 110.293 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.512 ' C ' ' H ' ' X' ' 22' ' ' PHE . 53.9 tt0 -75.2 -64.53 1.04 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.366 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.55 -7.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.295 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 22' ' ' PHE . . . . . 0.533 ' C ' ' H ' ' X' ' 24' ' ' GLN . 17.2 t80 -105.5 -70.21 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.336 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 23' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' X' ' 23' ' ' VAL . 92.6 t -55.79 -0.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.739 -179.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 24' ' ' GLN . . . . . 0.697 HE21 ' N ' ' X' ' 25' ' ' TRP . 1.6 pp0? -85.17 -16.24 41.04 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.572 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 25' ' ' TRP . . . . . 0.697 ' N ' HE21 ' X' ' 24' ' ' GLN . 0.0 OUTLIER -107.69 -38.82 5.77 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.435 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 26' ' ' LEU . . . . . 0.585 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.5 tp -50.44 -35.95 30.98 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.825 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -95.54 2.67 54.4 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.956 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -101.1 43.33 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.586 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 62.1 p -101.07 -131.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.586 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.978 -1.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 101' ' ' GGL . . . . . 0.55 ' N ' ' N ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 102' ' ' GGL . . . . . 0.615 ' CD ' ' H ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 103' ' ' PLM . . . . . 0.433 ' C1 ' ' OXT' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 1' ' ' HIS . . . . . 0.433 ' N ' ' CG2' ' X' ' 7' ' ' THR . 74.4 m-70 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 2' ' ' AIB . . . . . 0.523 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.473 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 63.22 -71.74 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 4' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . -54.03 -23.85 25.48 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 5' ' ' THR . . . . . 0.427 ' O ' ' O ' ' X' ' 6' ' ' PHE . 0.1 OUTLIER -129.79 -16.54 3.73 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.35 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' X' ' 5' ' ' THR . 0.2 OUTLIER 58.31 129.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.961 179.719 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 7' ' ' THR . . . . . 0.483 ' OG1' ' N ' ' X' ' 8' ' ' SER . 0.5 OUTLIER -93.88 -81.64 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.854 -179.622 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 8' ' ' SER . . . . . 0.483 ' N ' ' OG1' ' X' ' 7' ' ' THR . 0.1 OUTLIER -45.4 -60.72 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.694 -179.751 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.0 -39.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.754 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 10' ' ' TYR . . . . . 0.472 ' O ' ' CB ' ' X' ' 11' ' ' SER . 0.1 OUTLIER -62.38 103.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.458 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 11' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' X' ' 10' ' ' TYR . 0.3 OUTLIER 164.07 -42.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.723 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -79.98 10.45 4.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.662 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.94 -45.99 3.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.344 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.633 ' H ' ' CD2' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -57.72 -39.78 78.06 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.469 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -74.65 50.5 0.43 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.506 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 16' ' ' AIB . . . . . 0.428 ' H ' ' C ' ' X' ' 14' ' ' LEU 2.459 . . . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.25 -0.886 . . . . 0.0 108.687 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -92.71 -18.84 22.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.364 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 12.2 ttm-85 -117.14 13.51 14.73 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.1 -34.02 2.14 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.231 -1.349 . . . . 0.0 110.583 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.536 ' O ' ' NE2' ' X' ' 24' ' ' GLN . 1.0 OUTLIER -80.86 -26.49 36.9 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.079 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.87 -5.91 54.9 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 22' ' ' PHE . . . . . 0.556 ' C ' ' H ' ' X' ' 24' ' ' GLN . 20.9 t80 -108.49 -66.26 1.06 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.842 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 23' ' ' VAL . . . . . 0.449 ' O ' ' CG1' ' X' ' 23' ' ' VAL . 65.9 t -58.15 1.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.35 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 24' ' ' GLN . . . . . 0.7 HE21 ' N ' ' X' ' 24' ' ' GLN . 0.0 OUTLIER -86.68 -22.02 26.34 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.557 -179.5 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 25' ' ' TRP . . . . . 0.611 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -102.98 -39.66 6.83 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 178.128 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 26' ' ' LEU . . . . . 0.611 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 14.2 tp -47.56 -39.77 17.36 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.795 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 27' ' ' MET . . . . . 0.586 ' SD ' ' N ' ' X' ' 28' ' ' ASN . 0.5 OUTLIER -91.37 -153.95 0.34 Allowed 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.631 -179.689 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 28' ' ' ASN . . . . . 0.586 ' N ' ' SD ' ' X' ' 27' ' ' MET . 1.1 t-20 56.42 33.41 22.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.613 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 3.5 p -140.32 107.43 5.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 101' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 102' ' ' GGL . . . . . 0.605 ' CD ' ' H ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 1' ' ' HIS . . . . . 0.467 ' H2 ' ' H ' ' X' ' 2' ' ' AIB . 20.9 m80 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 2' ' ' AIB . . . . . 0.467 ' H ' ' H2 ' ' X' ' 1' ' ' HIS . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.415 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 70.37 -62.94 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.072 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.5 -39.02 91.17 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 5' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' X' ' 5' ' ' THR . 0.3 OUTLIER -134.3 82.36 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.105 0.479 . . . . 0.0 110.141 179.459 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -168.41 -11.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.449 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 7' ' ' THR . . . . . 0.505 ' C ' ' H ' ' X' ' 9' ' ' ASP . 72.3 p -70.5 -34.78 72.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.646 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.2 -12.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.536 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 9' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' X' ' 7' ' ' THR . 33.7 t70 -134.42 65.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.5 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.42 23.48 1.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.377 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 3.5 t -144.1 8.13 1.42 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.379 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -148.76 8.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.715 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.45 -80.21 0.37 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.785 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mp -51.82 -39.6 59.04 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -76.64 52.33 0.81 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 16' ' ' AIB . . . . . 0.403 ' O ' ' CB ' ' X' ' 20' ' ' GLN 2.455 . . . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 114.928 -1.033 . . . . 0.0 108.474 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 11.1 mmm-85 -82.93 -20.03 36.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.913 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -116.02 18.18 15.59 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.8 -35.52 0.79 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.649 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.508 ' C ' ' H ' ' X' ' 22' ' ' PHE . 1.3 tt0 -75.57 -63.78 1.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.267 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -53.58 -8.67 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.979 0.419 . . . . 0.0 110.185 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 22' ' ' PHE . . . . . 0.537 ' C ' ' H ' ' X' ' 24' ' ' GLN . 17.5 t80 -105.53 -69.89 0.8 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.359 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 23' ' ' VAL . . . . . 0.426 ' CG1' ' O ' ' X' ' 23' ' ' VAL . 74.4 t -56.02 -0.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.657 -179.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 24' ' ' GLN . . . . . 0.701 HE21 ' N ' ' X' ' 25' ' ' TRP . 1.6 pp0? -85.4 -15.81 41.87 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.585 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 25' ' ' TRP . . . . . 0.701 ' N ' HE21 ' X' ' 24' ' ' GLN . 0.0 OUTLIER -108.21 -37.98 5.88 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.486 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 26' ' ' LEU . . . . . 0.567 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.4 tp -51.52 -36.15 43.56 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.817 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.58 9.6 39.63 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.774 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 28' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' X' ' 28' ' ' ASN . 1.3 t-20 -95.7 31.35 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.495 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.18 152.89 49.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.542 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.974 -1.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 101' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 1' ' ' HIS . . . . . . . . . . . . . 28.1 m80 . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 2' ' ' AIB . . . . . 0.539 ' C ' ' H ' ' X' ' 4' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.264 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.68 -9.11 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.705 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 4' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' X' ' 2' ' ' AIB . . . -119.96 -6.67 9.97 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.346 -0.701 . . . . 0.0 111.346 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.11 11.66 3.9 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.259 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . 0.606 ' CD1' ' N ' ' X' ' 7' ' ' THR . 0.6 OUTLIER -98.73 -30.49 12.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.773 0.32 . . . . 0.0 110.618 179.728 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 7' ' ' THR . . . . . 0.606 ' N ' ' CD1' ' X' ' 6' ' ' PHE . 68.5 p -41.06 -70.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.837 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 8' ' ' SER . . . . . 0.4 ' N ' ' OG1' ' X' ' 7' ' ' THR . 0.2 OUTLIER -73.52 27.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.008 -179.537 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 9' ' ' ASP . . . . . 0.508 ' H ' ' C ' ' X' ' 7' ' ' THR . 18.3 m-20 -158.04 17.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.66 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 10' ' ' TYR . . . . . 0.572 ' CG ' ' N ' ' X' ' 11' ' ' SER . 53.3 t80 -104.4 178.83 4.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.605 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 11' ' ' SER . . . . . 0.572 ' N ' ' CG ' ' X' ' 10' ' ' TYR . 0.7 OUTLIER 56.33 22.73 6.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.182 -179.823 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -145.16 -44.55 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.857 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -100.26 -90.9 0.31 Allowed 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.06 -179.646 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.62 ' H ' ' CD2' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -41.09 -38.0 0.96 Allowed 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.18 -179.134 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -77.87 45.78 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 16' ' ' AIB . . . . . 0.486 ' H ' ' C ' ' X' ' 14' ' ' LEU 2.454 . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 114.855 -1.066 . . . . 0.0 108.532 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -15.88 57.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.159 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -120.14 19.55 12.21 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.96 -33.42 0.58 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.452 -178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.513 ' C ' ' H ' ' X' ' 22' ' ' PHE . 27.6 tt0 -77.03 -62.68 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.304 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -56.88 -5.67 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.265 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 22' ' ' PHE . . . . . 0.544 ' C ' ' H ' ' X' ' 24' ' ' GLN . 16.3 t80 -107.31 -71.14 0.77 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.407 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 23' ' ' VAL . . . . . 0.433 ' CG1' ' O ' ' X' ' 23' ' ' VAL . 88.5 t -55.27 -0.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.706 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 24' ' ' GLN . . . . . 0.696 HE21 ' N ' ' X' ' 25' ' ' TRP . 1.6 pp0? -85.48 -15.61 42.32 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.539 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 25' ' ' TRP . . . . . 0.696 ' N ' HE21 ' X' ' 24' ' ' GLN . 0.0 OUTLIER -108.19 -38.7 5.69 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.499 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 26' ' ' LEU . . . . . 0.578 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.4 tp -50.83 -36.23 36.39 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.817 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.2 3.8 54.26 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.909 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -100.98 -18.95 16.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.602 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 29' ' ' THR . . . . . 0.519 ' CG2' ' NE1' ' X' ' 25' ' ' TRP . 27.8 p -63.83 -114.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.523 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 120.001 -1.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 101' ' ' GGL . . . . . 0.469 ' O ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 102' ' ' GGL . . . . . 0.606 ' CD ' ' H ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 1' ' ' HIS . . . . . . . . . . . . . 72.4 m80 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 2' ' ' AIB . . . . . 0.406 ' O ' ' C ' ' X' ' 3' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.336 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 3' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' X' ' 2' ' ' AIB . 12.7 pt20 33.04 49.79 0.2 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.271 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.89 -14.47 0.17 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.96 -2.08 2.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 0.0 110.39 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . 0.516 ' O ' ' CG ' ' X' ' 6' ' ' PHE . 0.0 OUTLIER -94.29 -6.03 45.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.522 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 7' ' ' THR . . . . . 0.503 ' OG1' ' N ' ' X' ' 8' ' ' SER . 14.8 p -93.95 -67.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 8' ' ' SER . . . . . 0.503 ' N ' ' OG1' ' X' ' 7' ' ' THR . 32.9 t -63.44 72.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 9' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' X' ' 7' ' ' THR . 0.0 OUTLIER 165.33 -12.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.477 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 10' ' ' TYR . . . . . 0.516 ' C ' ' H ' ' X' ' 12' ' ' LYS . 0.1 OUTLIER -91.32 -53.79 4.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.61 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 82.8 p -50.01 -10.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 12' ' ' LYS . . . . . 0.516 ' H ' ' C ' ' X' ' 10' ' ' TYR . 11.5 ttpt -134.55 83.37 2.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.939 0.4 . . . . 0.0 110.64 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . 0.658 ' NZ ' ' H ' ' X' ' 101' ' ' GGL . 0.0 OUTLIER -172.57 -45.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.97 179.808 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.549 ' H ' ' CD2' ' X' ' 14' ' ' LEU . 0.1 OUTLIER -51.63 -28.23 13.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.606 179.498 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 15' ' ' ASP . . . . . 0.483 ' O ' ' CB1' ' X' ' 16' ' ' AIB . 37.8 t70 -75.3 22.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.18 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 16' ' ' AIB . . . . . 0.536 ' H ' ' C ' ' X' ' 14' ' ' LEU 2.456 . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.486 -0.779 . . . . 0.0 108.95 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.17 -15.73 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.353 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.64 3.84 10.65 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.37 -36.44 3.36 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 113.964 -1.471 . . . . 0.0 110.233 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.468 ' C ' ' H ' ' X' ' 22' ' ' PHE . 2.8 mt-30 -70.46 -75.66 0.12 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.989 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.74 -13.76 0.16 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.032 0.444 . . . . 0.0 110.079 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 22' ' ' PHE . . . . . 0.554 ' C ' ' H ' ' X' ' 24' ' ' GLN . 15.5 t80 -92.11 -72.99 0.56 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.091 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 23' ' ' VAL . . . . . 0.477 ' C ' HE21 ' X' ' 24' ' ' GLN . 85.3 t -54.0 -1.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.472 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 24' ' ' GLN . . . . . 0.683 HE21 ' N ' ' X' ' 24' ' ' GLN . 0.0 OUTLIER -83.77 -19.88 34.32 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.57 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 25' ' ' TRP . . . . . 0.573 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -105.78 -37.32 6.75 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.679 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 26' ' ' LEU . . . . . 0.573 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.0 tp -51.74 -33.77 36.29 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.866 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -96.38 10.25 38.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.449 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 28' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' X' ' 24' ' ' GLN . 25.4 m-20 -97.06 -65.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.507 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.44 -27.21 12.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.035 -1.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 101' ' ' GGL . . . . . 0.658 ' H ' ' NZ ' ' X' ' 13' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 1' ' ' HIS . . . . . . . . . . . . . 10.4 m80 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 2' ' ' AIB . . . . . 0.551 ' C ' ' H ' ' X' ' 4' ' ' GLY . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.336 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -70.3 40.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.452 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 4' ' ' GLY . . . . . 0.551 ' H ' ' C ' ' X' ' 2' ' ' AIB . . . -172.02 -4.61 0.03 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 5' ' ' THR . . . . . 0.4 ' H ' ' H ' ' X' ' 4' ' ' GLY . 0.1 OUTLIER -138.05 -25.33 0.97 Allowed 'General case' 0 C--O 1.231 0.106 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.234 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . 0.463 ' CD2' ' O ' ' X' ' 6' ' ' PHE . 0.1 OUTLIER -63.29 -12.67 31.07 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.426 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 7' ' ' THR . . . . . 0.508 ' C ' ' H ' ' X' ' 9' ' ' ASP . 0.5 OUTLIER -98.84 -45.95 5.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.499 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.97 12.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.628 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 9' ' ' ASP . . . . . 0.508 ' H ' ' C ' ' X' ' 7' ' ' THR . 3.0 m-20 -138.71 12.28 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.609 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 10' ' ' TYR . . . . . 0.475 ' CE1' ' CD ' ' X' ' 101' ' ' GGL . 0.1 OUTLIER -101.52 37.5 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.414 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.45 -27.08 5.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.351 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.08 73.79 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.616 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.25 -52.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.067 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.611 ' H ' ' CD2' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -57.78 -43.25 85.42 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.516 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -74.86 50.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.711 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 16' ' ' AIB . . . . . 0.405 ' H ' ' C ' ' X' ' 14' ' ' LEU 2.462 . . . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.042 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.68 -16.35 14.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 178.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 -118.43 6.09 11.79 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.74 -41.31 2.58 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.338 -179.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -66.82 -74.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.267 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.9 -32.47 1.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.144 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 22' ' ' PHE . . . . . 0.578 ' C ' ' H ' ' X' ' 24' ' ' GLN . 16.1 t80 -76.28 -73.25 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 23' ' ' VAL . . . . . 0.436 ' O ' ' CG1' ' X' ' 23' ' ' VAL . 92.7 t -56.91 0.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.02 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 24' ' ' GLN . . . . . 0.633 ' NE2' ' N ' ' X' ' 25' ' ' TRP . 0.0 OUTLIER -86.6 -29.21 22.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.734 -179.702 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 25' ' ' TRP . . . . . 0.633 ' N ' ' NE2' ' X' ' 24' ' ' GLN . 0.0 OUTLIER -101.14 -36.68 8.87 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.029 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 26' ' ' LEU . . . . . 0.576 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.1 tp -51.58 -32.79 29.85 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.875 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.12 9.07 43.4 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -89.56 -59.36 2.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.809 0.338 . . . . 0.0 110.604 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.3 -25.95 13.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.072 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 101' ' ' GGL . . . . . 0.475 ' CD ' ' CE1' ' X' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 102' ' ' GGL . . . . . 0.565 ' C ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 1' ' ' HIS . . . . . 0.409 ' O ' ' CD2' ' X' ' 6' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 2' ' ' AIB . . . . . 0.524 ' O ' ' N ' ' X' ' 5' ' ' THR . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -44.01 -21.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.978 0.418 . . . . 0.0 109.993 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 4' ' ' GLY . . . . . 0.469 ' N ' ' C ' ' X' ' 2' ' ' AIB . . . -88.8 -34.19 9.28 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 5' ' ' THR . . . . . 0.524 ' N ' ' O ' ' X' ' 2' ' ' AIB . 0.1 OUTLIER -110.94 22.48 15.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.866 0.365 . . . . 0.0 110.747 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' X' ' 2' ' ' AIB . 0.1 OUTLIER -84.81 -54.81 4.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.842 179.535 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 7' ' ' THR . . . . . 0.48 ' C ' ' H ' ' X' ' 9' ' ' ASP . 0.2 OUTLIER -43.83 169.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.582 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 8' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' X' ' 7' ' ' THR . 0.5 OUTLIER 78.13 -20.33 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.058 -179.674 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 9' ' ' ASP . . . . . 0.48 ' H ' ' C ' ' X' ' 7' ' ' THR . 5.8 m-20 -134.57 2.2 3.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.192 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 10' ' ' TYR . . . . . 0.627 ' CG ' ' N ' ' X' ' 11' ' ' SER . 39.1 t80 -140.43 167.36 22.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.145 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 11' ' ' SER . . . . . 0.627 ' N ' ' CG ' ' X' ' 10' ' ' TYR . 1.8 p 80.6 7.54 1.39 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.388 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -126.61 -31.39 2.72 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.785 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -103.38 -91.47 0.36 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.905 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.521 ' H ' ' CD2' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -40.53 -41.28 1.41 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.798 0.332 . . . . 0.0 110.331 -179.67 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -77.3 47.37 0.56 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 16' ' ' AIB . . . . . 0.433 ' H ' ' C ' ' X' ' 14' ' ' LEU 2.462 . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.281 -0.872 . . . . 0.0 108.981 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -119.46 -15.96 8.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.949 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.75 2.6 12.27 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.94 -38.13 3.47 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 113.846 -1.525 . . . . 0.0 110.199 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -69.23 -67.49 0.47 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.22 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.86 -27.76 8.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.238 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 22' ' ' PHE . . . . . 0.565 ' C ' ' H ' ' X' ' 24' ' ' GLN . 15.5 t80 -81.63 -72.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.999 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 23' ' ' VAL . . . . . 0.429 ' O ' ' CG1' ' X' ' 23' ' ' VAL . 91.0 t -55.45 -0.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.062 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 24' ' ' GLN . . . . . 0.637 ' NE2' ' N ' ' X' ' 25' ' ' TRP . 0.0 OUTLIER -83.31 -28.32 29.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.491 -179.801 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 25' ' ' TRP . . . . . 0.637 ' N ' ' NE2' ' X' ' 24' ' ' GLN . 0.0 OUTLIER -99.97 -36.76 9.27 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.093 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 26' ' ' LEU . . . . . 0.578 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.1 tp -51.44 -36.08 42.4 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.883 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -95.6 9.76 39.07 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -95.4 -37.24 11.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.546 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 34.4 p -91.3 118.49 30.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.576 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.014 -1.679 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 101' ' ' GGL . . . . . 0.474 ' CB ' ' OE1' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 102' ' ' GGL . . . . . 0.569 ' C ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 103' ' ' PLM . . . . . 0.428 ' O2 ' ' OXT' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.777 ' N ' HD12 ' X' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.865 0.364 . . . . 0.0 110.116 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 t70 . . . . . 0 C--N 1.331 -0.23 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.329 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 43.3 ttt85 -119.29 6.21 11.19 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.0 -41.04 2.46 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.484 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.42 -68.09 0.4 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.22 -32.69 10.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.105 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 22' ' ' PHE . . . . . 0.555 ' C ' ' H ' ' X' ' 24' ' ' GLN . 16.1 t80 -76.58 -72.62 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.812 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 23' ' ' VAL . . . . . 0.62 ' O ' HG12 ' X' ' 23' ' ' VAL . 91.7 t -55.09 -1.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.147 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 24' ' ' GLN . . . . . 0.555 ' H ' ' C ' ' X' ' 22' ' ' PHE . 0.5 OUTLIER -83.15 -28.25 29.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.581 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 25' ' ' TRP . . . . . 0.581 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -100.11 -36.76 9.22 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.154 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 26' ' ' LEU . . . . . 0.581 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.1 tp -51.44 -35.92 41.72 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.864 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.173 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.788 0.328 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 t0 . . . . . 0 C--N 1.327 -0.391 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.174 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -120.46 3.01 10.78 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.47 -34.65 4.51 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 113.877 -1.511 . . . . 0.0 110.2 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 20' ' ' GLN . . . . . 0.484 ' C ' ' H ' ' X' ' 22' ' ' PHE . 0.0 OUTLIER -74.98 -64.92 0.95 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.25 179.771 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -8.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.21 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 22' ' ' PHE . . . . . 0.5 ' C ' ' H ' ' X' ' 24' ' ' GLN . 17.0 t80 -105.13 -70.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.303 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 23' ' ' VAL . . . . . 0.638 ' O ' HG12 ' X' ' 23' ' ' VAL . 77.2 t -55.87 -0.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.606 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 24' ' ' GLN . . . . . 0.5 ' H ' ' C ' ' X' ' 22' ' ' PHE . 0.0 OUTLIER -85.19 -16.32 40.74 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.609 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 25' ' ' TRP . . . . . 0.575 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -107.87 -37.89 5.98 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.442 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 26' ' ' LEU . . . . . 0.575 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.5 tp -51.47 -35.0 38.04 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.898 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.982 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.803 HD22 ' N ' ' X' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.101 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 65.8 t0 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.362 179.127 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 . . . . . 0 CA--C 1.522 -0.122 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -117.17 6.96 12.88 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.03 -39.67 2.58 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 113.831 -1.531 . . . . 0.0 110.277 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -67.9 -70.88 0.23 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.314 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.38 -29.15 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.209 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 22' ' ' PHE . . . . . 0.547 ' C ' ' H ' ' X' ' 24' ' ' GLN . 15.5 t80 -80.93 -73.4 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 23' ' ' VAL . . . . . 0.602 ' O ' HG12 ' X' ' 23' ' ' VAL . 63.3 t -54.5 -2.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.05 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 24' ' ' GLN . . . . . 0.547 ' H ' ' C ' ' X' ' 22' ' ' PHE . 0.5 OUTLIER -81.29 -28.14 34.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.693 0.282 . . . . 0.0 110.495 -179.773 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 25' ' ' TRP . . . . . 0.623 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -99.64 -40.24 7.88 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 26' ' ' LEU . . . . . 0.623 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.5 tp -46.47 -37.05 7.28 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.601 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 2.7 ppp? . . . . . 0 C--N 1.333 -0.147 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.631 -179.697 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.715 HD13 HH21 ' X' ' 18' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.146 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 t0 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.842 179.645 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 18' ' ' ARG . . . . . 0.715 HH21 HD13 ' X' ' 14' ' ' LEU . 10.8 ttm-85 -122.28 4.29 9.74 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.01 -34.18 3.97 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 113.937 -1.483 . . . . 0.0 110.293 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 20' ' ' GLN . . . . . 0.484 ' C ' ' H ' ' X' ' 22' ' ' PHE . 53.9 tt0 -75.2 -64.53 1.04 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.366 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.55 -7.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.295 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 22' ' ' PHE . . . . . 0.495 ' C ' ' H ' ' X' ' 24' ' ' GLN . 17.2 t80 -105.5 -70.21 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.336 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 23' ' ' VAL . . . . . 0.641 ' O ' HG12 ' X' ' 23' ' ' VAL . 92.6 t -55.79 -0.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.739 -179.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 24' ' ' GLN . . . . . 0.495 ' H ' ' C ' ' X' ' 22' ' ' PHE . 0.0 OUTLIER -85.17 -16.24 41.04 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.572 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 25' ' ' TRP . . . . . 0.585 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -107.69 -38.82 5.77 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.435 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 26' ' ' LEU . . . . . 0.585 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.5 tp -50.44 -35.95 30.98 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.825 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 1.8 ppp? . . . . . 0 C--N 1.333 -0.128 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.956 -179.521 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.732 ' N ' HD23 ' X' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.171 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.506 179.357 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 12.2 ttm-85 -117.14 13.51 14.73 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.1 -34.02 2.14 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.231 -1.349 . . . . 0.0 110.583 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.86 -26.49 36.9 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.079 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.87 -5.91 54.9 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 22' ' ' PHE . . . . . 0.523 ' C ' ' H ' ' X' ' 24' ' ' GLN . 20.9 t80 -108.49 -66.26 1.06 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.842 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 23' ' ' VAL . . . . . 0.654 ' O ' HG12 ' X' ' 23' ' ' VAL . 65.9 t -58.15 1.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.35 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 24' ' ' GLN . . . . . 0.523 ' H ' ' C ' ' X' ' 22' ' ' PHE . 1.0 OUTLIER -86.68 -22.02 26.34 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.557 -179.5 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 25' ' ' TRP . . . . . 0.611 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -102.98 -39.66 6.83 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 178.128 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 26' ' ' LEU . . . . . 0.611 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 14.2 tp -47.56 -39.77 17.36 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.795 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.334 -0.102 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.631 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 8.6 t0 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.813 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 11.1 mmm-85 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -116.02 18.18 15.59 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.8 -35.52 0.79 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.649 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 20' ' ' GLN . . . . . 0.493 ' C ' ' H ' ' X' ' 22' ' ' PHE . 1.3 tt0 -75.57 -63.78 1.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.267 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -53.58 -8.67 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.979 0.419 . . . . 0.0 110.185 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 22' ' ' PHE . . . . . 0.501 ' C ' ' H ' ' X' ' 24' ' ' GLN . 17.5 t80 -105.53 -69.89 0.8 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.359 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 23' ' ' VAL . . . . . 0.638 ' O ' HG12 ' X' ' 23' ' ' VAL . 74.4 t -56.02 -0.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.657 -179.08 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 24' ' ' GLN . . . . . 0.501 ' H ' ' C ' ' X' ' 22' ' ' PHE . 0.0 OUTLIER -85.4 -15.81 41.87 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.585 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 25' ' ' TRP . . . . . 0.567 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -108.21 -37.98 5.88 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.486 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 26' ' ' LEU . . . . . 0.567 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.4 tp -51.52 -36.15 43.56 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.817 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.122 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.774 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.666 ' N ' HD23 ' X' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.851 0.358 . . . . 0.0 110.18 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 39.2 t0 . . . . . 0 C--N 1.325 -0.469 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.605 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -120.14 19.55 12.21 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.96 -33.42 0.58 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.452 -178.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 20' ' ' GLN . . . . . 0.478 ' C ' ' H ' ' X' ' 22' ' ' PHE . 27.6 tt0 -77.03 -62.68 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.304 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -56.88 -5.67 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.265 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 22' ' ' PHE . . . . . 0.504 ' C ' ' H ' ' X' ' 24' ' ' GLN . 16.3 t80 -107.31 -71.14 0.77 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.407 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 23' ' ' VAL . . . . . 0.635 ' O ' HG12 ' X' ' 23' ' ' VAL . 88.5 t -55.27 -0.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.706 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 24' ' ' GLN . . . . . 0.504 ' H ' ' C ' ' X' ' 22' ' ' PHE . 0.0 OUTLIER -85.48 -15.61 42.32 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.539 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 25' ' ' TRP . . . . . 0.578 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -108.19 -38.7 5.69 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.499 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 26' ' ' LEU . . . . . 0.578 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.4 tp -50.83 -36.23 36.39 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.817 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.149 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.909 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.675 ' N ' HD23 ' X' ' 14' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.193 0 CA-C-O 121.222 0.534 . . . . 0.0 109.606 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 37.8 t70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.18 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.127 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.64 3.84 10.65 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.37 -36.44 3.36 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 113.964 -1.471 . . . . 0.0 110.233 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 20' ' ' GLN . . . . . 0.474 ' HG2' HE22 ' X' ' 24' ' ' GLN . 2.8 mt-30 -70.46 -75.66 0.12 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.989 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.74 -13.76 0.16 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.032 0.444 . . . . 0.0 110.079 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 22' ' ' PHE . . . . . 0.529 ' C ' ' H ' ' X' ' 24' ' ' GLN . 15.5 t80 -92.11 -72.99 0.56 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.091 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 23' ' ' VAL . . . . . 0.627 ' O ' HG12 ' X' ' 23' ' ' VAL . 85.3 t -54.0 -1.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.472 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 24' ' ' GLN . . . . . 0.529 ' H ' ' C ' ' X' ' 22' ' ' PHE . 0.0 OUTLIER -83.77 -19.88 34.32 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.57 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 25' ' ' TRP . . . . . 0.573 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -105.78 -37.32 6.75 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.679 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 26' ' ' LEU . . . . . 0.573 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.0 tp -51.74 -33.77 36.29 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.866 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.449 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.756 ' N ' HD23 ' X' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.523 -0.079 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 21.1 t0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.711 179.346 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 -118.43 6.09 11.79 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.74 -41.31 2.58 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.338 -179.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -66.82 -74.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.267 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.9 -32.47 1.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.144 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 22' ' ' PHE . . . . . 0.55 ' C ' ' H ' ' X' ' 24' ' ' GLN . 16.1 t80 -76.28 -73.25 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 23' ' ' VAL . . . . . 0.64 ' O ' HG12 ' X' ' 23' ' ' VAL . 92.7 t -56.91 0.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.02 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 24' ' ' GLN . . . . . 0.55 ' H ' ' C ' ' X' ' 22' ' ' PHE . 0.7 OUTLIER -86.6 -29.21 22.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.734 -179.702 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 25' ' ' TRP . . . . . 0.576 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -101.14 -36.68 8.87 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.029 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 26' ' ' LEU . . . . . 0.576 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.1 tp -51.58 -32.79 29.85 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.875 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.526 ' N ' HD23 ' X' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.798 0.332 . . . . 0.0 110.331 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 18.3 t0 . . . . . 0 C--N 1.327 -0.376 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.292 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 . . . . . 0 CA--C 1.521 -0.164 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.75 2.6 12.27 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.94 -38.13 3.47 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 113.846 -1.525 . . . . 0.0 110.199 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -69.23 -67.49 0.47 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.22 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.86 -27.76 8.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.238 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 22' ' ' PHE . . . . . 0.555 ' C ' ' H ' ' X' ' 24' ' ' GLN . 15.5 t80 -81.63 -72.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.999 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 23' ' ' VAL . . . . . 0.631 ' O ' HG12 ' X' ' 23' ' ' VAL . 91.0 t -55.45 -0.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.062 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 24' ' ' GLN . . . . . 0.555 ' H ' ' C ' ' X' ' 22' ' ' PHE . 0.6 OUTLIER -83.31 -28.32 29.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.491 -179.801 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 25' ' ' TRP . . . . . 0.578 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -99.97 -36.76 9.27 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.093 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 26' ' ' LEU . . . . . 0.578 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.1 tp -51.44 -36.08 42.4 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.883 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.332 -0.155 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 1' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 2' ' ' AIB . . . . . 0.633 HB21 HG23 ' X' ' 5' ' ' THR . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.386 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -53.79 -9.96 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.501 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 4' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' X' ' 2' ' ' AIB . . . -111.17 -11.21 18.84 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 5' ' ' THR . . . . . 0.633 HG23 HB21 ' X' ' 2' ' ' AIB . 0.1 OUTLIER -135.71 18.61 3.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.337 . . . . 0.0 110.736 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 6' ' ' PHE . . . . . 0.519 ' N ' ' O ' ' X' ' 2' ' ' AIB . 31.8 t80 -105.01 -13.02 15.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.482 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 7' ' ' THR . . . . . 0.511 ' OG1' ' N ' ' X' ' 8' ' ' SER . 23.9 p -103.56 -70.46 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.574 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 8' ' ' SER . . . . . 0.511 ' N ' ' OG1' ' X' ' 7' ' ' THR . 0.3 OUTLIER -49.88 -57.06 8.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.502 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 9' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -73.09 37.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 10' ' ' TYR . . . . . 0.665 ' O ' HD11 ' X' ' 14' ' ' LEU . 0.1 OUTLIER -149.4 26.8 0.85 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -118.84 9.98 12.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.462 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -129.33 30.95 4.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.502 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 13' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' X' ' 17' ' ' ARG . 6.5 tttp -133.07 -75.35 0.49 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.506 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.777 ' N ' HD12 ' X' ' 14' ' ' LEU . 0.0 OUTLIER -44.47 -42.34 7.02 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.116 179.864 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -76.05 45.55 0.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 16' ' ' AIB . . . . . 0.676 HB12 ' HB3' ' X' ' 19' ' ' ALA 2.459 . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.835 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 17' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' X' ' 13' ' ' LYS . 6.5 tpt180 -111.63 -16.13 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.007 178.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 43.3 ttt85 -119.29 6.21 11.19 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 19' ' ' ALA . . . . . 0.676 ' HB3' HB12 ' X' ' 16' ' ' AIB . . . -122.0 -41.04 2.46 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.484 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.42 -68.09 0.4 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.22 -32.69 10.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.105 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 22' ' ' PHE . . . . . 0.555 ' C ' ' H ' ' X' ' 24' ' ' GLN . 16.1 t80 -76.58 -72.62 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.812 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 23' ' ' VAL . . . . . 0.62 HG12 ' O ' ' X' ' 23' ' ' VAL . 91.7 t -55.09 -1.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.147 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 24' ' ' GLN . . . . . 0.555 ' H ' ' C ' ' X' ' 22' ' ' PHE . 0.5 OUTLIER -83.15 -28.25 29.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.581 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 25' ' ' TRP . . . . . 0.581 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -100.11 -36.76 9.22 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.154 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 26' ' ' LEU . . . . . 0.581 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.1 tp -51.44 -35.92 41.72 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.864 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.9 9.81 39.38 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -99.98 5.25 45.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.432 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 4.9 p -137.51 -172.68 3.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.563 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 120.048 -1.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 101' ' ' GGL . . . . . 0.523 ' OXT' ' CD2' ' X' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 102' ' ' GGL . . . . . 0.575 ' N ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 1' ' ' HIS . . . . . 0.438 ' O ' HB13 ' X' ' 2' ' ' AIB . 70.8 m80 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 2' ' ' AIB . . . . . 0.633 HB21 ' CB ' ' X' ' 6' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.341 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 3' ' ' GLN . . . . . 0.479 ' C ' ' H ' ' X' ' 5' ' ' THR . 29.5 mt-30 53.71 -83.61 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.369 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 4' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . -56.26 -6.31 1.41 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 5' ' ' THR . . . . . 0.61 HG23 HB22 ' X' ' 2' ' ' AIB . 0.1 OUTLIER -135.23 -6.89 2.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.836 0.35 . . . . 0.0 110.374 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 6' ' ' PHE . . . . . 0.633 ' CB ' HB21 ' X' ' 2' ' ' AIB . 81.6 t80 -137.43 169.74 17.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.386 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 7' ' ' THR . . . . . 0.621 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 0.2 OUTLIER 79.18 -58.79 0.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.505 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 8' ' ' SER . . . . . . . . . . . . . 31.1 t -53.99 -70.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 9' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -53.44 -47.17 69.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.562 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 10' ' ' TYR . . . . . 0.441 ' C ' ' H ' ' X' ' 12' ' ' LYS . 32.1 m-85 -67.33 -174.2 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.489 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.22 4.95 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.546 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 12' ' ' LYS . . . . . 0.441 ' H ' ' C ' ' X' ' 10' ' ' TYR . 10.7 mmtp -135.79 -63.22 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -85.95 -88.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.116 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.493 ' H ' HD12 ' X' ' 14' ' ' LEU . 2.1 mp -40.22 -44.13 1.81 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.406 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -74.72 44.59 0.22 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 16' ' ' AIB . . . . . 0.632 HB12 ' HB3' ' X' ' 19' ' ' ALA 2.461 . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.31 -0.859 . . . . 0.0 108.999 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 17' ' ' ARG . . . . . 0.475 ' HB3' ' HG3' ' X' ' 103' ' ' PLM . 0.0 OUTLIER -111.78 -15.17 13.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.251 179.086 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -120.46 3.01 10.78 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 19' ' ' ALA . . . . . 0.632 ' HB3' HB12 ' X' ' 16' ' ' AIB . . . -116.47 -34.65 4.51 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 113.877 -1.511 . . . . 0.0 110.2 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.484 ' C ' ' H ' ' X' ' 22' ' ' PHE . 0.0 OUTLIER -74.98 -64.92 0.95 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.25 179.771 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -8.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.21 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 22' ' ' PHE . . . . . 0.5 ' C ' ' H ' ' X' ' 24' ' ' GLN . 17.0 t80 -105.13 -70.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.303 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 23' ' ' VAL . . . . . 0.638 HG12 ' O ' ' X' ' 23' ' ' VAL . 77.2 t -55.87 -0.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.606 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 24' ' ' GLN . . . . . 0.5 ' H ' ' C ' ' X' ' 22' ' ' PHE . 0.0 OUTLIER -85.19 -16.32 40.74 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.609 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 25' ' ' TRP . . . . . 0.575 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -107.87 -37.89 5.98 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.442 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 26' ' ' LEU . . . . . 0.575 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.5 tp -51.47 -35.0 38.04 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.898 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.34 9.47 42.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.982 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -93.43 -15.41 25.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.491 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 40.8 p -80.92 98.0 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.543 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 101' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 102' ' ' GGL . . . . . 0.575 ' N ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 103' ' ' PLM . . . . . 0.475 ' HG3' ' HB3' ' X' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 1' ' ' HIS . . . . . 0.648 ' O ' HB23 ' X' ' 2' ' ' AIB . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 2' ' ' AIB . . . . . 0.648 HB23 ' O ' ' X' ' 1' ' ' HIS . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 3' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' X' ' 2' ' ' AIB . 56.5 mt-30 41.52 92.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.577 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.47 -14.21 54.26 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 5' ' ' THR . . . . . 0.501 ' OG1' HB11 ' X' ' 2' ' ' AIB . 0.1 OUTLIER -136.18 -0.86 2.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.546 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 6' ' ' PHE . . . . . 0.496 ' HB3' HB13 ' X' ' 2' ' ' AIB . 0.1 OUTLIER -103.91 -28.52 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.563 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 7' ' ' THR . . . . . 0.407 HG22 ' CE2' ' X' ' 6' ' ' PHE . 50.3 p -64.47 -46.96 80.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.695 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 8' ' ' SER . . . . . . . . . . . . . 36.8 m -41.73 -79.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 9' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' X' ' 11' ' ' SER . 1.2 m-20 -41.36 -51.96 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.677 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 10' ' ' TYR . . . . . 0.464 ' HA ' HD11 ' X' ' 14' ' ' LEU . 0.2 OUTLIER -41.91 98.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.441 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 11' ' ' SER . . . . . 0.715 ' N ' HD21 ' X' ' 14' ' ' LEU . 0.9 OUTLIER 169.23 -40.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.566 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -116.19 58.91 0.74 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.53 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -171.76 -58.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.424 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.849 HD13 ' H ' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -48.12 -36.57 13.56 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.777 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -75.95 53.17 0.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.362 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 16' ' ' AIB . . . . . 0.628 HB12 ' HB3' ' X' ' 19' ' ' ALA 2.461 . . . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.07 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 17' ' ' ARG . . . . . 0.414 ' H ' ' H ' ' X' ' 16' ' ' AIB . 2.0 mmt180 -117.22 -18.96 9.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.076 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -117.17 6.96 12.88 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 19' ' ' ALA . . . . . 0.628 ' HB3' HB12 ' X' ' 16' ' ' AIB . . . -122.03 -39.67 2.58 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 113.831 -1.531 . . . . 0.0 110.277 -179.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -67.9 -70.88 0.23 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.314 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.38 -29.15 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.209 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 22' ' ' PHE . . . . . 0.547 ' C ' ' H ' ' X' ' 24' ' ' GLN . 15.5 t80 -80.93 -73.4 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 23' ' ' VAL . . . . . 0.602 HG12 ' O ' ' X' ' 23' ' ' VAL . 63.3 t -54.5 -2.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.05 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 24' ' ' GLN . . . . . 0.547 ' H ' ' C ' ' X' ' 22' ' ' PHE . 0.5 OUTLIER -81.29 -28.14 34.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.693 0.282 . . . . 0.0 110.495 -179.773 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 25' ' ' TRP . . . . . 0.623 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -99.64 -40.24 7.88 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 26' ' ' LEU . . . . . 0.623 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.5 tp -46.47 -37.05 7.28 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.601 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 27' ' ' MET . . . . . 0.592 ' SD ' ' N ' ' X' ' 28' ' ' ASN . 2.7 ppp? -95.19 -156.84 0.53 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.631 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 28' ' ' ASN . . . . . 0.592 ' N ' ' SD ' ' X' ' 27' ' ' MET . 1.6 t-20 59.55 2.8 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 29' ' ' THR . . . . . 0.457 ' H ' ' C ' ' X' ' 27' ' ' MET . 6.6 p -85.81 -82.6 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.99 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 101' ' ' GGL . . . . . 0.512 ' N ' ' O2 ' ' X' ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 102' ' ' GGL . . . . . 0.583 ' N ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 103' ' ' PLM . . . . . 0.512 ' O2 ' ' N ' ' X' ' 101' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 2' ' ' AIB . . . . . 0.456 ' C ' ' H ' ' X' ' 4' ' ' GLY . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.316 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.87 45.06 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.208 0.528 . . . . 0.0 109.784 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 4' ' ' GLY . . . . . 0.481 ' C ' ' N ' ' X' ' 6' ' ' PHE . . . 91.76 50.14 2.77 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 5' ' ' THR . . . . . 0.467 ' C ' ' H ' ' X' ' 7' ' ' THR . 0.7 OUTLIER 52.56 14.6 0.41 Allowed 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 6' ' ' PHE . . . . . 0.528 ' O ' ' CD1' ' X' ' 6' ' ' PHE . 0.1 OUTLIER -50.48 -10.75 0.06 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.751 -179.467 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 7' ' ' THR . . . . . 0.467 ' H ' ' C ' ' X' ' 5' ' ' THR . 25.6 p -82.27 -54.19 5.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.538 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.07 -13.74 61.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.603 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -102.26 23.93 10.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.615 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 10' ' ' TYR . . . . . 0.469 ' C ' ' H ' ' X' ' 12' ' ' LYS . 1.7 t80 -87.97 -17.6 30.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.602 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 83.7 p -54.44 -7.88 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.485 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 12' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' X' ' 10' ' ' TYR . 5.9 mmtp -99.21 -37.45 9.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.574 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -44.04 -79.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.547 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.715 HD13 HH21 ' X' ' 18' ' ' ARG . 0.2 OUTLIER -41.57 -46.12 3.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.042 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -73.89 46.34 0.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.842 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 16' ' ' AIB . . . . . 0.631 HB12 ' HB3' ' X' ' 19' ' ' ALA 2.459 . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.212 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.12 -12.39 13.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.211 179.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 18' ' ' ARG . . . . . 0.715 HH21 HD13 ' X' ' 14' ' ' LEU . 10.8 ttm-85 -122.28 4.29 9.74 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 19' ' ' ALA . . . . . 0.631 ' HB3' HB12 ' X' ' 16' ' ' AIB . . . -119.01 -34.18 3.97 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 113.937 -1.483 . . . . 0.0 110.293 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.484 ' C ' ' H ' ' X' ' 22' ' ' PHE . 53.9 tt0 -75.2 -64.53 1.04 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.366 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.55 -7.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.295 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 22' ' ' PHE . . . . . 0.495 ' C ' ' H ' ' X' ' 24' ' ' GLN . 17.2 t80 -105.5 -70.21 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.336 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 23' ' ' VAL . . . . . 0.641 HG12 ' O ' ' X' ' 23' ' ' VAL . 92.6 t -55.79 -0.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.739 -179.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 24' ' ' GLN . . . . . 0.495 ' H ' ' C ' ' X' ' 22' ' ' PHE . 0.0 OUTLIER -85.17 -16.24 41.04 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.572 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 25' ' ' TRP . . . . . 0.585 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -107.69 -38.82 5.77 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.435 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 26' ' ' LEU . . . . . 0.585 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.5 tp -50.44 -35.95 30.98 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.825 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -95.54 2.67 54.4 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.956 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -101.1 43.33 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.586 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 29' ' ' THR . . . . . 0.466 ' HG1' ' N ' ' X' ' 30' ' ' NH2 . 62.1 p -101.07 -131.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.586 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 30' ' ' NH2 . . . . . 0.466 ' N ' ' HG1' ' X' ' 29' ' ' THR . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.978 -1.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 101' ' ' GGL . . . . . 0.55 ' N ' ' N ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 102' ' ' GGL . . . . . 0.562 ' N ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 103' ' ' PLM . . . . . 0.433 ' C1 ' ' OXT' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 1' ' ' HIS . . . . . 0.511 ' H3 ' HG21 ' X' ' 7' ' ' THR . 74.4 m-70 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 2' ' ' AIB . . . . . 0.523 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.473 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 63.22 -71.74 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 4' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . -54.03 -23.85 25.48 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 5' ' ' THR . . . . . 0.427 ' O ' ' O ' ' X' ' 6' ' ' PHE . 0.1 OUTLIER -129.79 -16.54 3.73 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.35 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 6' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' X' ' 5' ' ' THR . 0.2 OUTLIER 58.31 129.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.961 179.719 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 7' ' ' THR . . . . . 0.511 HG21 ' H3 ' ' X' ' 1' ' ' HIS . 0.5 OUTLIER -93.88 -81.64 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.854 -179.622 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 8' ' ' SER . . . . . 0.483 ' N ' ' OG1' ' X' ' 7' ' ' THR . 0.1 OUTLIER -45.4 -60.72 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.694 -179.751 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.0 -39.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.754 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 10' ' ' TYR . . . . . 0.472 ' O ' ' CB ' ' X' ' 11' ' ' SER . 0.1 OUTLIER -62.38 103.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.458 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 11' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' X' ' 10' ' ' TYR . 0.3 OUTLIER 164.07 -42.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.723 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -79.98 10.45 4.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.662 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.94 -45.99 3.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.344 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.732 HD23 ' N ' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -57.72 -39.78 78.06 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.469 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -74.65 50.5 0.43 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.506 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 16' ' ' AIB . . . . . 0.829 HB12 ' HB3' ' X' ' 19' ' ' ALA 2.459 . . . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.25 -0.886 . . . . 0.0 108.687 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -92.71 -18.84 22.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.364 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 12.2 ttm-85 -117.14 13.51 14.73 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 19' ' ' ALA . . . . . 0.829 ' HB3' HB12 ' X' ' 16' ' ' AIB . . . -128.1 -34.02 2.14 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.231 -1.349 . . . . 0.0 110.583 -178.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.86 -26.49 36.9 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.079 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.87 -5.91 54.9 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 22' ' ' PHE . . . . . 0.523 ' C ' ' H ' ' X' ' 24' ' ' GLN . 20.9 t80 -108.49 -66.26 1.06 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.842 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 23' ' ' VAL . . . . . 0.654 HG12 ' O ' ' X' ' 23' ' ' VAL . 65.9 t -58.15 1.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.35 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 24' ' ' GLN . . . . . 0.523 ' H ' ' C ' ' X' ' 22' ' ' PHE . 1.0 OUTLIER -86.68 -22.02 26.34 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.557 -179.5 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 25' ' ' TRP . . . . . 0.611 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -102.98 -39.66 6.83 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 178.128 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 26' ' ' LEU . . . . . 0.611 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 14.2 tp -47.56 -39.77 17.36 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.795 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 27' ' ' MET . . . . . 0.586 ' SD ' ' N ' ' X' ' 28' ' ' ASN . 0.5 OUTLIER -91.37 -153.95 0.34 Allowed 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.631 -179.689 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 28' ' ' ASN . . . . . 0.586 ' N ' ' SD ' ' X' ' 27' ' ' MET . 45.9 t30 56.42 33.41 22.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.613 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 3.5 p -140.32 107.43 5.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 101' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 102' ' ' GGL . . . . . 0.57 ' N ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 1' ' ' HIS . . . . . . . . . . . . . 20.9 m80 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 2' ' ' AIB . . . . . 0.467 HB13 ' O ' ' X' ' 5' ' ' THR . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.415 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 70.37 -62.94 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.072 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.5 -39.02 91.17 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 5' ' ' THR . . . . . 0.467 ' O ' HB13 ' X' ' 2' ' ' AIB . 0.3 OUTLIER -134.3 82.36 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.105 0.479 . . . . 0.0 110.141 179.459 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 6' ' ' PHE . . . . . 0.407 ' H ' ' H ' ' X' ' 7' ' ' THR . 62.1 t80 -168.41 -11.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.449 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 7' ' ' THR . . . . . 0.474 ' C ' ' N ' ' X' ' 9' ' ' ASP . 72.3 p -70.5 -34.78 72.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.646 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.2 -12.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.536 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 9' ' ' ASP . . . . . 0.474 ' N ' ' C ' ' X' ' 7' ' ' THR . 33.7 t70 -134.42 65.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.5 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.42 23.48 1.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.377 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 3.5 t -144.1 8.13 1.42 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.379 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -148.76 8.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.715 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.45 -80.21 0.37 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.785 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.465 ' H ' HD12 ' X' ' 14' ' ' LEU . 3.0 mp -51.82 -39.6 59.04 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -76.64 52.33 0.81 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 16' ' ' AIB . . . . . 0.788 HB12 ' HB3' ' X' ' 19' ' ' ALA 2.455 . . . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 114.928 -1.033 . . . . 0.0 108.474 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 11.1 mmm-85 -82.93 -20.03 36.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.913 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 18' ' ' ARG . . . . . 0.437 ' HB2' ' HG2' ' X' ' 103' ' ' PLM . 0.8 OUTLIER -116.02 18.18 15.59 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.103 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 19' ' ' ALA . . . . . 0.788 ' HB3' HB12 ' X' ' 16' ' ' AIB . . . -135.8 -35.52 0.79 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.649 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.493 ' C ' ' H ' ' X' ' 22' ' ' PHE . 1.3 tt0 -75.57 -63.78 1.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.267 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -53.58 -8.67 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.979 0.419 . . . . 0.0 110.185 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 22' ' ' PHE . . . . . 0.501 ' C ' ' H ' ' X' ' 24' ' ' GLN . 17.5 t80 -105.53 -69.89 0.8 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.359 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 23' ' ' VAL . . . . . 0.638 HG12 ' O ' ' X' ' 23' ' ' VAL . 74.4 t -56.02 -0.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.657 -179.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 24' ' ' GLN . . . . . 0.501 ' H ' ' C ' ' X' ' 22' ' ' PHE . 0.0 OUTLIER -85.4 -15.81 41.87 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.585 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 25' ' ' TRP . . . . . 0.567 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -108.21 -37.98 5.88 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.486 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 26' ' ' LEU . . . . . 0.567 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.4 tp -51.52 -36.15 43.56 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.817 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.58 9.6 39.63 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.774 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -95.7 31.35 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.495 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.18 152.89 49.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.542 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.974 -1.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 101' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 103' ' ' PLM . . . . . 0.437 ' HG2' ' HB2' ' X' ' 18' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 1' ' ' HIS . . . . . 0.516 ' O ' HB12 ' X' ' 2' ' ' AIB . 28.1 m80 . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 2' ' ' AIB . . . . . 0.516 HB12 ' O ' ' X' ' 1' ' ' HIS . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.264 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.68 -9.11 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.705 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 4' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' X' ' 2' ' ' AIB . . . -119.96 -6.67 9.97 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.346 -0.701 . . . . 0.0 111.346 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.11 11.66 3.9 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.259 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 6' ' ' PHE . . . . . 0.606 ' CD1' ' N ' ' X' ' 7' ' ' THR . 0.6 OUTLIER -98.73 -30.49 12.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.773 0.32 . . . . 0.0 110.618 179.728 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 7' ' ' THR . . . . . 0.606 ' N ' ' CD1' ' X' ' 6' ' ' PHE . 68.5 p -41.06 -70.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.837 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 8' ' ' SER . . . . . 0.4 ' N ' ' OG1' ' X' ' 7' ' ' THR . 0.2 OUTLIER -73.52 27.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.008 -179.537 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 9' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' X' ' 7' ' ' THR . 18.3 m-20 -158.04 17.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.66 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 10' ' ' TYR . . . . . 0.572 ' CG ' ' N ' ' X' ' 11' ' ' SER . 53.3 t80 -104.4 178.83 4.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.605 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 11' ' ' SER . . . . . 0.572 ' N ' ' CG ' ' X' ' 10' ' ' TYR . 0.7 OUTLIER 56.33 22.73 6.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.182 -179.823 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -145.16 -44.55 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.857 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 13' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -100.26 -90.9 0.31 Allowed 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.06 -179.646 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.765 ' H ' HD23 ' X' ' 14' ' ' LEU . 0.0 OUTLIER -41.09 -38.0 0.96 Allowed 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.18 -179.134 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -77.87 45.78 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 16' ' ' AIB . . . . . 0.972 HB12 ' HB3' ' X' ' 19' ' ' ALA 2.454 . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 114.855 -1.066 . . . . 0.0 108.532 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -15.88 57.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.159 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -120.14 19.55 12.21 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 19' ' ' ALA . . . . . 0.972 ' HB3' HB12 ' X' ' 16' ' ' AIB . . . -139.96 -33.42 0.58 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.452 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.478 ' C ' ' H ' ' X' ' 22' ' ' PHE . 27.6 tt0 -77.03 -62.68 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.304 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -56.88 -5.67 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.265 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 22' ' ' PHE . . . . . 0.504 ' C ' ' H ' ' X' ' 24' ' ' GLN . 16.3 t80 -107.31 -71.14 0.77 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.407 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 23' ' ' VAL . . . . . 0.635 HG12 ' O ' ' X' ' 23' ' ' VAL . 88.5 t -55.27 -0.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.706 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 24' ' ' GLN . . . . . 0.504 ' H ' ' C ' ' X' ' 22' ' ' PHE . 0.0 OUTLIER -85.48 -15.61 42.32 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.539 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 25' ' ' TRP . . . . . 0.578 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -108.19 -38.7 5.69 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.499 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 26' ' ' LEU . . . . . 0.578 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.4 tp -50.83 -36.23 36.39 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.817 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.2 3.8 54.26 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.909 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -100.98 -18.95 16.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.602 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 29' ' ' THR . . . . . 0.519 ' CG2' ' NE1' ' X' ' 25' ' ' TRP . 27.8 p -63.83 -114.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.523 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 120.001 -1.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 101' ' ' GGL . . . . . 0.469 ' O ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 102' ' ' GGL . . . . . 0.532 ' N ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' X' X ' 1' ' ' HIS . . . . . 0.495 ' O ' HB13 ' X' ' 2' ' ' AIB . 72.4 m80 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 2' ' ' AIB . . . . . 0.619 HB22 HG23 ' X' ' 5' ' ' THR . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.336 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 3' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' X' ' 2' ' ' AIB . 12.7 pt20 33.04 49.79 0.2 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.271 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.89 -14.47 0.17 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 5' ' ' THR . . . . . 0.619 HG23 HB22 ' X' ' 2' ' ' AIB . 0.1 OUTLIER -135.96 -2.08 2.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 0.0 110.39 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 6' ' ' PHE . . . . . 0.572 ' HB3' HB21 ' X' ' 2' ' ' AIB . 0.0 OUTLIER -94.29 -6.03 45.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.522 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 7' ' ' THR . . . . . 0.512 ' OG1' ' N ' ' X' ' 8' ' ' SER . 14.8 p -93.95 -67.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 8' ' ' SER . . . . . 0.512 ' N ' ' OG1' ' X' ' 7' ' ' THR . 32.9 t -63.44 72.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 9' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' X' ' 7' ' ' THR . 0.0 OUTLIER 165.33 -12.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.477 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 10' ' ' TYR . . . . . 0.485 ' C ' ' H ' ' X' ' 12' ' ' LYS . 0.1 OUTLIER -91.32 -53.79 4.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.61 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 82.8 p -50.01 -10.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 12' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' X' ' 10' ' ' TYR . 11.5 ttpt -134.55 83.37 2.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.939 0.4 . . . . 0.0 110.64 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 13' ' ' LYS . . . . . 0.649 ' NZ ' ' N ' ' X' ' 101' ' ' GGL . 0.0 OUTLIER -172.57 -45.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.97 179.808 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.675 HD23 ' N ' ' X' ' 14' ' ' LEU . 0.1 OUTLIER -51.63 -28.23 13.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.606 179.498 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 15' ' ' ASP . . . . . 0.631 ' O ' HB13 ' X' ' 16' ' ' AIB . 37.8 t70 -75.3 22.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.18 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 16' ' ' AIB . . . . . 0.631 HB13 ' O ' ' X' ' 15' ' ' ASP 2.456 . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.486 -0.779 . . . . 0.0 108.95 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.17 -15.73 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.353 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.64 3.84 10.65 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 19' ' ' ALA . . . . . 0.479 ' HB3' HB12 ' X' ' 16' ' ' AIB . . . -119.37 -36.44 3.36 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 113.964 -1.471 . . . . 0.0 110.233 -179.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.474 ' HG2' HE22 ' X' ' 24' ' ' GLN . 2.8 mt-30 -70.46 -75.66 0.12 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.989 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.74 -13.76 0.16 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.032 0.444 . . . . 0.0 110.079 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 22' ' ' PHE . . . . . 0.529 ' C ' ' H ' ' X' ' 24' ' ' GLN . 15.5 t80 -92.11 -72.99 0.56 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.091 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 23' ' ' VAL . . . . . 0.627 HG12 ' O ' ' X' ' 23' ' ' VAL . 85.3 t -54.0 -1.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.472 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 24' ' ' GLN . . . . . 0.529 ' H ' ' C ' ' X' ' 22' ' ' PHE . 0.0 OUTLIER -83.77 -19.88 34.32 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.57 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 25' ' ' TRP . . . . . 0.573 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -105.78 -37.32 6.75 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.679 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 26' ' ' LEU . . . . . 0.573 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.0 tp -51.74 -33.77 36.29 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.866 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -96.38 10.25 38.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.449 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 28' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' X' ' 24' ' ' GLN . 25.4 m-20 -97.06 -65.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.507 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.44 -27.21 12.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.035 -1.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' X' X ' 101' ' ' GGL . . . . . 0.649 ' N ' ' NZ ' ' X' ' 13' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' X' X ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 1' ' ' HIS . . . . . . . . . . . . . 10.4 m80 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 2' ' ' AIB . . . . . 0.513 ' C ' ' H ' ' X' ' 4' ' ' GLY . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.336 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -70.3 40.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.452 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 4' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' X' ' 2' ' ' AIB . . . -172.02 -4.61 0.03 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.05 -25.33 0.97 Allowed 'General case' 0 C--O 1.231 0.106 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.234 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 6' ' ' PHE . . . . . 0.463 ' CD2' ' O ' ' X' ' 6' ' ' PHE . 0.1 OUTLIER -63.29 -12.67 31.07 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.426 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 7' ' ' THR . . . . . 0.487 ' C ' ' H ' ' X' ' 9' ' ' ASP . 0.5 OUTLIER -98.84 -45.95 5.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.499 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.97 12.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.628 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 9' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' X' ' 7' ' ' THR . 3.0 m-20 -138.71 12.28 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.609 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 10' ' ' TYR . . . . . 0.475 ' CE1' ' CD ' ' X' ' 101' ' ' GGL . 0.1 OUTLIER -101.52 37.5 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.414 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.45 -27.08 5.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.351 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.08 73.79 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.616 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.25 -52.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.067 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.756 HD23 ' N ' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -57.78 -43.25 85.42 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.516 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -74.86 50.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.711 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 16' ' ' AIB . . . . . 0.603 HB12 ' HB3' ' X' ' 19' ' ' ALA 2.462 . . . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.042 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.68 -16.35 14.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 178.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 -118.43 6.09 11.79 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 19' ' ' ALA . . . . . 0.603 ' HB3' HB12 ' X' ' 16' ' ' AIB . . . -120.74 -41.31 2.58 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.338 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -66.82 -74.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.267 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.9 -32.47 1.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.144 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 22' ' ' PHE . . . . . 0.55 ' C ' ' H ' ' X' ' 24' ' ' GLN . 16.1 t80 -76.28 -73.25 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 23' ' ' VAL . . . . . 0.64 HG12 ' O ' ' X' ' 23' ' ' VAL . 92.7 t -56.91 0.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.02 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 24' ' ' GLN . . . . . 0.55 ' H ' ' C ' ' X' ' 22' ' ' PHE . 0.7 OUTLIER -86.6 -29.21 22.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.734 -179.702 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 25' ' ' TRP . . . . . 0.576 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -101.14 -36.68 8.87 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.029 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 26' ' ' LEU . . . . . 0.576 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.1 tp -51.58 -32.79 29.85 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.875 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.12 9.07 43.4 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -89.56 -59.36 2.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.809 0.338 . . . . 0.0 110.604 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.3 -25.95 13.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.072 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 101' ' ' GGL . . . . . 0.475 ' CD ' ' CE1' ' X' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 102' ' ' GGL . . . . . 0.565 ' C ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 1' ' ' HIS . . . . . 0.409 ' O ' ' CD2' ' X' ' 6' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 2' ' ' AIB . . . . . 0.62 HB21 HG23 ' X' ' 5' ' ' THR . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -44.01 -21.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.978 0.418 . . . . 0.0 109.993 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 4' ' ' GLY . . . . . 0.469 ' N ' ' C ' ' X' ' 2' ' ' AIB . . . -88.8 -34.19 9.28 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 5' ' ' THR . . . . . 0.62 HG23 HB21 ' X' ' 2' ' ' AIB . 0.1 OUTLIER -110.94 22.48 15.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.866 0.365 . . . . 0.0 110.747 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 6' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' X' ' 2' ' ' AIB . 0.1 OUTLIER -84.81 -54.81 4.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.842 179.535 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 7' ' ' THR . . . . . 0.456 ' O ' ' CB ' ' X' ' 8' ' ' SER . 0.2 OUTLIER -43.83 169.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.582 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 8' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' X' ' 7' ' ' THR . 0.5 OUTLIER 78.13 -20.33 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.058 -179.674 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 9' ' ' ASP . . . . . 0.443 ' H ' ' C ' ' X' ' 7' ' ' THR . 5.8 m-20 -134.57 2.2 3.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.192 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 10' ' ' TYR . . . . . 0.627 ' CG ' ' N ' ' X' ' 11' ' ' SER . 39.1 t80 -140.43 167.36 22.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.145 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 11' ' ' SER . . . . . 0.627 ' N ' ' CG ' ' X' ' 10' ' ' TYR . 1.8 p 80.6 7.54 1.39 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.388 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -126.61 -31.39 2.72 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.785 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -103.38 -91.47 0.36 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.905 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.606 ' H ' ' CD2' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -40.53 -41.28 1.41 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.798 0.332 . . . . 0.0 110.331 -179.67 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -77.3 47.37 0.56 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 16' ' ' AIB . . . . . 0.578 HB12 ' HB3' ' X' ' 19' ' ' ALA 2.462 . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.281 -0.872 . . . . 0.0 108.981 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 17' ' ' ARG . . . . . 0.409 ' H ' ' H ' ' X' ' 16' ' ' AIB . 8.3 mmt180 -119.46 -15.96 8.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.949 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.75 2.6 12.27 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 19' ' ' ALA . . . . . 0.578 ' HB3' HB12 ' X' ' 16' ' ' AIB . . . -116.94 -38.13 3.47 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 113.846 -1.525 . . . . 0.0 110.199 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -69.23 -67.49 0.47 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.22 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.86 -27.76 8.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.238 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 22' ' ' PHE . . . . . 0.555 ' C ' ' H ' ' X' ' 24' ' ' GLN . 15.5 t80 -81.63 -72.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.999 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 23' ' ' VAL . . . . . 0.631 HG12 ' O ' ' X' ' 23' ' ' VAL . 91.0 t -55.45 -0.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.062 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 24' ' ' GLN . . . . . 0.555 ' H ' ' C ' ' X' ' 22' ' ' PHE . 0.6 OUTLIER -83.31 -28.32 29.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.491 -179.801 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 25' ' ' TRP . . . . . 0.578 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -99.97 -36.76 9.27 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.093 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 26' ' ' LEU . . . . . 0.578 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.1 tp -51.44 -36.08 42.4 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.883 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -95.6 9.76 39.07 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -95.4 -37.24 11.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.546 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 34.4 p -91.3 118.49 30.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.576 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.014 -1.679 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 101' ' ' GGL . . . . . 0.474 ' CB ' ' OE1' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 102' ' ' GGL . . . . . 0.569 ' C ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 103' ' ' PLM . . . . . 0.428 ' O2 ' ' OXT' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.777 ' N ' HD12 ' X' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.865 0.364 . . . . 0.0 110.116 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 t70 . . . . . 0 C--N 1.331 -0.23 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.329 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 43.3 ttt85 -119.29 6.21 11.19 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.0 -41.04 2.46 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.484 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.42 -68.09 0.4 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.22 -32.69 10.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.105 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 22' ' ' PHE . . . . . 0.555 ' C ' ' H ' ' X' ' 24' ' ' GLN . 16.1 t80 -76.58 -72.62 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.812 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 23' ' ' VAL . . . . . 0.62 ' O ' HG12 ' X' ' 23' ' ' VAL . 91.7 t -55.09 -1.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.147 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 24' ' ' GLN . . . . . 0.638 ' NE2' ' N ' ' X' ' 25' ' ' TRP . 0.0 OUTLIER -83.15 -28.25 29.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.581 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 25' ' ' TRP . . . . . 0.638 ' N ' ' NE2' ' X' ' 24' ' ' GLN . 0.0 OUTLIER -100.11 -36.76 9.22 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.154 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 26' ' ' LEU . . . . . 0.581 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.1 tp -51.44 -35.92 41.72 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.864 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.173 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.788 0.328 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 t0 . . . . . 0 C--N 1.327 -0.391 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.174 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -120.46 3.01 10.78 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.47 -34.65 4.51 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 113.877 -1.511 . . . . 0.0 110.2 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 20' ' ' GLN . . . . . 0.484 ' C ' ' H ' ' X' ' 22' ' ' PHE . 0.0 OUTLIER -74.98 -64.92 0.95 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.25 179.771 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -8.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.21 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 22' ' ' PHE . . . . . 0.5 ' C ' ' H ' ' X' ' 24' ' ' GLN . 17.0 t80 -105.13 -70.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.303 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 23' ' ' VAL . . . . . 0.638 ' O ' HG12 ' X' ' 23' ' ' VAL . 77.2 t -55.87 -0.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.606 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 24' ' ' GLN . . . . . 0.713 HE21 ' N ' ' X' ' 25' ' ' TRP . 1.7 pp0? -85.19 -16.32 40.74 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.609 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 25' ' ' TRP . . . . . 0.713 ' N ' HE21 ' X' ' 24' ' ' GLN . 0.0 OUTLIER -107.87 -37.89 5.98 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.442 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 26' ' ' LEU . . . . . 0.575 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.5 tp -51.47 -35.0 38.04 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.898 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.982 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.803 HD22 ' N ' ' X' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.101 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 65.8 t0 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.362 179.127 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 . . . . . 0 CA--C 1.522 -0.122 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -117.17 6.96 12.88 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.03 -39.67 2.58 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 113.831 -1.531 . . . . 0.0 110.277 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -67.9 -70.88 0.23 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.314 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.38 -29.15 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.209 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 22' ' ' PHE . . . . . 0.547 ' C ' ' H ' ' X' ' 24' ' ' GLN . 15.5 t80 -80.93 -73.4 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 23' ' ' VAL . . . . . 0.602 ' O ' HG12 ' X' ' 23' ' ' VAL . 63.3 t -54.5 -2.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.05 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 24' ' ' GLN . . . . . 0.631 ' NE2' ' N ' ' X' ' 25' ' ' TRP . 0.0 OUTLIER -81.29 -28.14 34.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.693 0.282 . . . . 0.0 110.495 -179.773 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 25' ' ' TRP . . . . . 0.631 ' N ' ' NE2' ' X' ' 24' ' ' GLN . 0.0 OUTLIER -99.64 -40.24 7.88 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 26' ' ' LEU . . . . . 0.623 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.5 tp -46.47 -37.05 7.28 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.601 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 2.7 ppp? . . . . . 0 C--N 1.333 -0.147 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.631 -179.697 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.715 HD13 HH21 ' X' ' 18' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.146 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 t0 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.842 179.645 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 18' ' ' ARG . . . . . 0.715 HH21 HD13 ' X' ' 14' ' ' LEU . 10.8 ttm-85 -122.28 4.29 9.74 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.01 -34.18 3.97 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 113.937 -1.483 . . . . 0.0 110.293 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 20' ' ' GLN . . . . . 0.484 ' C ' ' H ' ' X' ' 22' ' ' PHE . 53.9 tt0 -75.2 -64.53 1.04 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.366 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.55 -7.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.295 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 22' ' ' PHE . . . . . 0.495 ' C ' ' H ' ' X' ' 24' ' ' GLN . 17.2 t80 -105.5 -70.21 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.336 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 23' ' ' VAL . . . . . 0.641 ' O ' HG12 ' X' ' 23' ' ' VAL . 92.6 t -55.79 -0.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.739 -179.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 24' ' ' GLN . . . . . 0.717 HE21 ' N ' ' X' ' 25' ' ' TRP . 1.6 pp0? -85.17 -16.24 41.04 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.572 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 25' ' ' TRP . . . . . 0.717 ' N ' HE21 ' X' ' 24' ' ' GLN . 0.0 OUTLIER -107.69 -38.82 5.77 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.435 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 26' ' ' LEU . . . . . 0.585 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.5 tp -50.44 -35.95 30.98 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.825 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 1.8 ppp? . . . . . 0 C--N 1.333 -0.128 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.956 -179.521 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.732 ' N ' HD23 ' X' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.171 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.506 179.357 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 12.2 ttm-85 -117.14 13.51 14.73 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.1 -34.02 2.14 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.231 -1.349 . . . . 0.0 110.583 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 20' ' ' GLN . . . . . 0.536 ' O ' ' NE2' ' X' ' 24' ' ' GLN . 1.0 OUTLIER -80.86 -26.49 36.9 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.079 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.87 -5.91 54.9 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 22' ' ' PHE . . . . . 0.523 ' C ' ' H ' ' X' ' 24' ' ' GLN . 20.9 t80 -108.49 -66.26 1.06 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.842 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 23' ' ' VAL . . . . . 0.654 ' O ' HG12 ' X' ' 23' ' ' VAL . 65.9 t -58.15 1.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.35 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 24' ' ' GLN . . . . . 0.726 ' N ' HE21 ' X' ' 24' ' ' GLN . 0.0 OUTLIER -86.68 -22.02 26.34 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.557 -179.5 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 25' ' ' TRP . . . . . 0.611 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -102.98 -39.66 6.83 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 178.128 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 26' ' ' LEU . . . . . 0.611 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 14.2 tp -47.56 -39.77 17.36 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.795 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.334 -0.102 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.631 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 8.6 t0 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.813 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 11.1 mmm-85 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -116.02 18.18 15.59 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.8 -35.52 0.79 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.649 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 20' ' ' GLN . . . . . 0.493 ' C ' ' H ' ' X' ' 22' ' ' PHE . 1.3 tt0 -75.57 -63.78 1.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.267 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -53.58 -8.67 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.979 0.419 . . . . 0.0 110.185 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 22' ' ' PHE . . . . . 0.501 ' C ' ' H ' ' X' ' 24' ' ' GLN . 17.5 t80 -105.53 -69.89 0.8 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.359 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 23' ' ' VAL . . . . . 0.638 ' O ' HG12 ' X' ' 23' ' ' VAL . 74.4 t -56.02 -0.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.657 -179.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 24' ' ' GLN . . . . . 0.724 HE21 ' N ' ' X' ' 25' ' ' TRP . 1.6 pp0? -85.4 -15.81 41.87 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.585 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 25' ' ' TRP . . . . . 0.724 ' N ' HE21 ' X' ' 24' ' ' GLN . 0.0 OUTLIER -108.21 -37.98 5.88 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.486 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 26' ' ' LEU . . . . . 0.567 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.4 tp -51.52 -36.15 43.56 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.817 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.122 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.774 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.666 ' N ' HD23 ' X' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.851 0.358 . . . . 0.0 110.18 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 39.2 t0 . . . . . 0 C--N 1.325 -0.469 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.605 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -120.14 19.55 12.21 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.96 -33.42 0.58 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.452 -178.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 20' ' ' GLN . . . . . 0.478 ' C ' ' H ' ' X' ' 22' ' ' PHE . 27.6 tt0 -77.03 -62.68 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.304 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -56.88 -5.67 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.265 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 22' ' ' PHE . . . . . 0.504 ' C ' ' H ' ' X' ' 24' ' ' GLN . 16.3 t80 -107.31 -71.14 0.77 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.407 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 23' ' ' VAL . . . . . 0.635 ' O ' HG12 ' X' ' 23' ' ' VAL . 88.5 t -55.27 -0.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.706 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 24' ' ' GLN . . . . . 0.717 HE21 ' N ' ' X' ' 25' ' ' TRP . 1.6 pp0? -85.48 -15.61 42.32 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.539 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 25' ' ' TRP . . . . . 0.717 ' N ' HE21 ' X' ' 24' ' ' GLN . 0.0 OUTLIER -108.19 -38.7 5.69 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.499 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 26' ' ' LEU . . . . . 0.578 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.4 tp -50.83 -36.23 36.39 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.817 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.149 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.909 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.675 ' N ' HD23 ' X' ' 14' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.193 0 CA-C-O 121.222 0.534 . . . . 0.0 109.606 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 37.8 t70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.18 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.127 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.64 3.84 10.65 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.37 -36.44 3.36 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 113.964 -1.471 . . . . 0.0 110.233 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 20' ' ' GLN . . . . . 0.456 ' C ' ' N ' ' X' ' 22' ' ' PHE . 2.8 mt-30 -70.46 -75.66 0.12 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.989 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.74 -13.76 0.16 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.032 0.444 . . . . 0.0 110.079 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 22' ' ' PHE . . . . . 0.529 ' C ' ' H ' ' X' ' 24' ' ' GLN . 15.5 t80 -92.11 -72.99 0.56 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.091 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 23' ' ' VAL . . . . . 0.627 ' O ' HG12 ' X' ' 23' ' ' VAL . 85.3 t -54.0 -1.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.472 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 24' ' ' GLN . . . . . 0.708 ' N ' HE21 ' X' ' 24' ' ' GLN . 0.0 OUTLIER -83.77 -19.88 34.32 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.57 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 25' ' ' TRP . . . . . 0.573 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -105.78 -37.32 6.75 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.679 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 26' ' ' LEU . . . . . 0.573 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.0 tp -51.74 -33.77 36.29 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.866 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.449 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.756 ' N ' HD23 ' X' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.523 -0.079 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 21.1 t0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.711 179.346 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 -118.43 6.09 11.79 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.74 -41.31 2.58 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.338 -179.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -66.82 -74.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.267 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.9 -32.47 1.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.144 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 22' ' ' PHE . . . . . 0.55 ' C ' ' H ' ' X' ' 24' ' ' GLN . 16.1 t80 -76.28 -73.25 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 23' ' ' VAL . . . . . 0.64 ' O ' HG12 ' X' ' 23' ' ' VAL . 92.7 t -56.91 0.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.02 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 24' ' ' GLN . . . . . 0.633 ' NE2' ' N ' ' X' ' 25' ' ' TRP . 0.0 OUTLIER -86.6 -29.21 22.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.734 -179.702 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 25' ' ' TRP . . . . . 0.633 ' N ' ' NE2' ' X' ' 24' ' ' GLN . 0.0 OUTLIER -101.14 -36.68 8.87 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.029 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 26' ' ' LEU . . . . . 0.576 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.1 tp -51.58 -32.79 29.85 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.875 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.526 ' N ' HD23 ' X' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.798 0.332 . . . . 0.0 110.331 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 18.3 t0 . . . . . 0 C--N 1.327 -0.376 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.292 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 . . . . . 0 CA--C 1.521 -0.164 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.75 2.6 12.27 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.94 -38.13 3.47 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 113.846 -1.525 . . . . 0.0 110.199 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -69.23 -67.49 0.47 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.22 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.86 -27.76 8.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.238 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 22' ' ' PHE . . . . . 0.555 ' C ' ' H ' ' X' ' 24' ' ' GLN . 15.5 t80 -81.63 -72.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.999 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 23' ' ' VAL . . . . . 0.631 ' O ' HG12 ' X' ' 23' ' ' VAL . 91.0 t -55.45 -0.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.062 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 24' ' ' GLN . . . . . 0.637 ' NE2' ' N ' ' X' ' 25' ' ' TRP . 0.0 OUTLIER -83.31 -28.32 29.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.491 -179.801 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 25' ' ' TRP . . . . . 0.637 ' N ' ' NE2' ' X' ' 24' ' ' GLN . 0.0 OUTLIER -99.97 -36.76 9.27 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.093 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 26' ' ' LEU . . . . . 0.578 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.1 tp -51.44 -36.08 42.4 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.883 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.332 -0.155 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 1' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 2' ' ' AIB . . . . . 0.633 HB21 HG23 ' X' ' 5' ' ' THR . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.386 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -53.79 -9.96 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.501 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 4' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' X' ' 2' ' ' AIB . . . -111.17 -11.21 18.84 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . 0.633 HG23 HB21 ' X' ' 2' ' ' AIB . 0.1 OUTLIER -135.71 18.61 3.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.337 . . . . 0.0 110.736 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . 0.519 ' N ' ' O ' ' X' ' 2' ' ' AIB . 31.8 t80 -105.01 -13.02 15.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.482 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . 0.511 ' OG1' ' N ' ' X' ' 8' ' ' SER . 23.9 p -103.56 -70.46 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.574 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 8' ' ' SER . . . . . 0.511 ' N ' ' OG1' ' X' ' 7' ' ' THR . 0.3 OUTLIER -49.88 -57.06 8.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.502 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 9' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -73.09 37.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 10' ' ' TYR . . . . . 0.665 ' O ' HD11 ' X' ' 14' ' ' LEU . 0.1 OUTLIER -149.4 26.8 0.85 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -118.84 9.98 12.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.462 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -129.33 30.95 4.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.502 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' X' ' 17' ' ' ARG . 6.5 tttp -133.07 -75.35 0.49 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.506 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.777 ' N ' HD12 ' X' ' 14' ' ' LEU . 0.0 OUTLIER -44.47 -42.34 7.02 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.116 179.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -76.05 45.55 0.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 16' ' ' AIB . . . . . 0.676 HB12 ' HB3' ' X' ' 19' ' ' ALA 2.459 . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.835 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 17' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' X' ' 13' ' ' LYS . 6.5 tpt180 -111.63 -16.13 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.007 178.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 43.3 ttt85 -119.29 6.21 11.19 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . 0.676 ' HB3' HB12 ' X' ' 16' ' ' AIB . . . -122.0 -41.04 2.46 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.484 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.42 -68.09 0.4 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.22 -32.69 10.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.105 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 22' ' ' PHE . . . . . 0.555 ' C ' ' H ' ' X' ' 24' ' ' GLN . 16.1 t80 -76.58 -72.62 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.812 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 23' ' ' VAL . . . . . 0.62 HG12 ' O ' ' X' ' 23' ' ' VAL . 91.7 t -55.09 -1.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.147 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 24' ' ' GLN . . . . . 0.638 ' NE2' ' N ' ' X' ' 25' ' ' TRP . 0.0 OUTLIER -83.15 -28.25 29.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.581 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 25' ' ' TRP . . . . . 0.638 ' N ' ' NE2' ' X' ' 24' ' ' GLN . 0.0 OUTLIER -100.11 -36.76 9.22 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.154 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 26' ' ' LEU . . . . . 0.581 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.1 tp -51.44 -35.92 41.72 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.864 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.9 9.81 39.38 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -99.98 5.25 45.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.432 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 4.9 p -137.51 -172.68 3.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.563 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 120.048 -1.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 101' ' ' GGL . . . . . 0.523 ' OXT' ' CD2' ' X' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 102' ' ' GGL . . . . . 0.575 ' N ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 1' ' ' HIS . . . . . 0.438 ' O ' HB13 ' X' ' 2' ' ' AIB . 70.8 m80 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 2' ' ' AIB . . . . . 0.633 HB21 ' CB ' ' X' ' 6' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.341 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 3' ' ' GLN . . . . . 0.479 ' C ' ' H ' ' X' ' 5' ' ' THR . 29.5 mt-30 53.71 -83.61 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.369 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 4' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . -56.26 -6.31 1.41 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . 0.61 HG23 HB22 ' X' ' 2' ' ' AIB . 0.1 OUTLIER -135.23 -6.89 2.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.836 0.35 . . . . 0.0 110.374 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . 0.633 ' CB ' HB21 ' X' ' 2' ' ' AIB . 81.6 t80 -137.43 169.74 17.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.386 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . 0.621 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 0.2 OUTLIER 79.18 -58.79 0.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.505 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 8' ' ' SER . . . . . . . . . . . . . 31.1 t -53.99 -70.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 9' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -53.44 -47.17 69.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.562 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 10' ' ' TYR . . . . . 0.441 ' C ' ' H ' ' X' ' 12' ' ' LYS . 32.1 m-85 -67.33 -174.2 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.489 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.22 4.95 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.546 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 12' ' ' LYS . . . . . 0.441 ' H ' ' C ' ' X' ' 10' ' ' TYR . 10.7 mmtp -135.79 -63.22 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -85.95 -88.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.116 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.493 ' H ' HD12 ' X' ' 14' ' ' LEU . 2.1 mp -40.22 -44.13 1.81 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.406 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -74.72 44.59 0.22 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 16' ' ' AIB . . . . . 0.632 HB12 ' HB3' ' X' ' 19' ' ' ALA 2.461 . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.31 -0.859 . . . . 0.0 108.999 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 17' ' ' ARG . . . . . 0.475 ' HB3' ' HG3' ' X' ' 103' ' ' PLM . 0.0 OUTLIER -111.78 -15.17 13.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.251 179.086 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -120.46 3.01 10.78 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . 0.632 ' HB3' HB12 ' X' ' 16' ' ' AIB . . . -116.47 -34.65 4.51 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 113.877 -1.511 . . . . 0.0 110.2 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.484 ' C ' ' H ' ' X' ' 22' ' ' PHE . 0.0 OUTLIER -74.98 -64.92 0.95 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.25 179.771 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -8.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.21 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 22' ' ' PHE . . . . . 0.5 ' C ' ' H ' ' X' ' 24' ' ' GLN . 17.0 t80 -105.13 -70.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.303 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 23' ' ' VAL . . . . . 0.638 HG12 ' O ' ' X' ' 23' ' ' VAL . 77.2 t -55.87 -0.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.606 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 24' ' ' GLN . . . . . 0.713 HE21 ' N ' ' X' ' 25' ' ' TRP . 1.7 pp0? -85.19 -16.32 40.74 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.609 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 25' ' ' TRP . . . . . 0.713 ' N ' HE21 ' X' ' 24' ' ' GLN . 0.0 OUTLIER -107.87 -37.89 5.98 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.442 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 26' ' ' LEU . . . . . 0.575 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.5 tp -51.47 -35.0 38.04 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.898 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.34 9.47 42.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.982 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -93.43 -15.41 25.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.491 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 40.8 p -80.92 98.0 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.543 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 101' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 102' ' ' GGL . . . . . 0.575 ' N ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 103' ' ' PLM . . . . . 0.475 ' HG3' ' HB3' ' X' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 1' ' ' HIS . . . . . 0.648 ' O ' HB23 ' X' ' 2' ' ' AIB . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 2' ' ' AIB . . . . . 0.648 HB23 ' O ' ' X' ' 1' ' ' HIS . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 3' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' X' ' 2' ' ' AIB . 56.5 mt-30 41.52 92.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.577 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.47 -14.21 54.26 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . 0.501 ' OG1' HB11 ' X' ' 2' ' ' AIB . 0.1 OUTLIER -136.18 -0.86 2.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.546 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . 0.496 ' HB3' HB13 ' X' ' 2' ' ' AIB . 0.1 OUTLIER -103.91 -28.52 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.563 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . 0.407 HG22 ' CE2' ' X' ' 6' ' ' PHE . 50.3 p -64.47 -46.96 80.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.695 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 8' ' ' SER . . . . . . . . . . . . . 36.8 m -41.73 -79.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 9' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' X' ' 11' ' ' SER . 1.2 m-20 -41.36 -51.96 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.677 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 10' ' ' TYR . . . . . 0.464 ' HA ' HD11 ' X' ' 14' ' ' LEU . 0.2 OUTLIER -41.91 98.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.441 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 11' ' ' SER . . . . . 0.715 ' N ' HD21 ' X' ' 14' ' ' LEU . 0.9 OUTLIER 169.23 -40.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.566 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -116.19 58.91 0.74 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.53 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -171.76 -58.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.424 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.849 HD13 ' H ' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -48.12 -36.57 13.56 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.777 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -75.95 53.17 0.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.362 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 16' ' ' AIB . . . . . 0.628 HB12 ' HB3' ' X' ' 19' ' ' ALA 2.461 . . . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.07 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 17' ' ' ARG . . . . . 0.414 ' H ' ' H ' ' X' ' 16' ' ' AIB . 2.0 mmt180 -117.22 -18.96 9.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.076 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -117.17 6.96 12.88 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . 0.628 ' HB3' HB12 ' X' ' 16' ' ' AIB . . . -122.03 -39.67 2.58 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 113.831 -1.531 . . . . 0.0 110.277 -179.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -67.9 -70.88 0.23 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.314 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.38 -29.15 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.209 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 22' ' ' PHE . . . . . 0.547 ' C ' ' H ' ' X' ' 24' ' ' GLN . 15.5 t80 -80.93 -73.4 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 23' ' ' VAL . . . . . 0.602 HG12 ' O ' ' X' ' 23' ' ' VAL . 63.3 t -54.5 -2.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.05 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 24' ' ' GLN . . . . . 0.631 ' NE2' ' N ' ' X' ' 25' ' ' TRP . 0.0 OUTLIER -81.29 -28.14 34.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.693 0.282 . . . . 0.0 110.495 -179.773 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 25' ' ' TRP . . . . . 0.631 ' N ' ' NE2' ' X' ' 24' ' ' GLN . 0.0 OUTLIER -99.64 -40.24 7.88 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 26' ' ' LEU . . . . . 0.623 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.5 tp -46.47 -37.05 7.28 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.601 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 27' ' ' MET . . . . . 0.592 ' SD ' ' N ' ' X' ' 28' ' ' ASN . 2.7 ppp? -95.19 -156.84 0.53 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.631 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 28' ' ' ASN . . . . . 0.592 ' N ' ' SD ' ' X' ' 27' ' ' MET . 1.6 t-20 59.55 2.8 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 29' ' ' THR . . . . . 0.457 ' H ' ' C ' ' X' ' 27' ' ' MET . 6.6 p -85.81 -82.6 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.99 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 101' ' ' GGL . . . . . 0.512 ' N ' ' O2 ' ' X' ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 102' ' ' GGL . . . . . 0.583 ' N ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 103' ' ' PLM . . . . . 0.512 ' O2 ' ' N ' ' X' ' 101' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 2' ' ' AIB . . . . . 0.456 ' C ' ' H ' ' X' ' 4' ' ' GLY . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.316 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.87 45.06 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.208 0.528 . . . . 0.0 109.784 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 4' ' ' GLY . . . . . 0.481 ' C ' ' N ' ' X' ' 6' ' ' PHE . . . 91.76 50.14 2.77 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . 0.467 ' C ' ' H ' ' X' ' 7' ' ' THR . 0.7 OUTLIER 52.56 14.6 0.41 Allowed 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . 0.528 ' O ' ' CD1' ' X' ' 6' ' ' PHE . 0.1 OUTLIER -50.48 -10.75 0.06 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.751 -179.467 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . 0.467 ' H ' ' C ' ' X' ' 5' ' ' THR . 25.6 p -82.27 -54.19 5.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.538 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.07 -13.74 61.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.603 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -102.26 23.93 10.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.615 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 10' ' ' TYR . . . . . 0.469 ' C ' ' H ' ' X' ' 12' ' ' LYS . 1.7 t80 -87.97 -17.6 30.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.602 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 83.7 p -54.44 -7.88 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.485 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 12' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' X' ' 10' ' ' TYR . 5.9 mmtp -99.21 -37.45 9.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.574 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -44.04 -79.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.547 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.715 HD13 HH21 ' X' ' 18' ' ' ARG . 0.2 OUTLIER -41.57 -46.12 3.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.042 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -73.89 46.34 0.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.842 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 16' ' ' AIB . . . . . 0.631 HB12 ' HB3' ' X' ' 19' ' ' ALA 2.459 . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.212 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.12 -12.39 13.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.211 179.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 18' ' ' ARG . . . . . 0.715 HH21 HD13 ' X' ' 14' ' ' LEU . 10.8 ttm-85 -122.28 4.29 9.74 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . 0.631 ' HB3' HB12 ' X' ' 16' ' ' AIB . . . -119.01 -34.18 3.97 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 113.937 -1.483 . . . . 0.0 110.293 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.484 ' C ' ' H ' ' X' ' 22' ' ' PHE . 53.9 tt0 -75.2 -64.53 1.04 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.366 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.55 -7.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.295 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 22' ' ' PHE . . . . . 0.495 ' C ' ' H ' ' X' ' 24' ' ' GLN . 17.2 t80 -105.5 -70.21 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.336 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 23' ' ' VAL . . . . . 0.641 HG12 ' O ' ' X' ' 23' ' ' VAL . 92.6 t -55.79 -0.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.739 -179.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 24' ' ' GLN . . . . . 0.717 HE21 ' N ' ' X' ' 25' ' ' TRP . 1.6 pp0? -85.17 -16.24 41.04 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.572 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 25' ' ' TRP . . . . . 0.717 ' N ' HE21 ' X' ' 24' ' ' GLN . 0.0 OUTLIER -107.69 -38.82 5.77 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.435 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 26' ' ' LEU . . . . . 0.585 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.5 tp -50.44 -35.95 30.98 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.825 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -95.54 2.67 54.4 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.956 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -101.1 43.33 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.586 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 29' ' ' THR . . . . . 0.466 ' HG1' ' N ' ' X' ' 30' ' ' NH2 . 62.1 p -101.07 -131.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.586 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 30' ' ' NH2 . . . . . 0.466 ' N ' ' HG1' ' X' ' 29' ' ' THR . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.978 -1.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 101' ' ' GGL . . . . . 0.55 ' N ' ' N ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 102' ' ' GGL . . . . . 0.562 ' N ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 103' ' ' PLM . . . . . 0.433 ' C1 ' ' OXT' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 1' ' ' HIS . . . . . 0.511 ' H3 ' HG21 ' X' ' 7' ' ' THR . 74.4 m-70 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 2' ' ' AIB . . . . . 0.523 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.473 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 63.22 -71.74 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 4' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . -54.03 -23.85 25.48 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . 0.427 ' O ' ' O ' ' X' ' 6' ' ' PHE . 0.1 OUTLIER -129.79 -16.54 3.73 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.35 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' X' ' 5' ' ' THR . 0.2 OUTLIER 58.31 129.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.961 179.719 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . 0.511 HG21 ' H3 ' ' X' ' 1' ' ' HIS . 0.5 OUTLIER -93.88 -81.64 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.854 -179.622 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 8' ' ' SER . . . . . 0.483 ' N ' ' OG1' ' X' ' 7' ' ' THR . 0.1 OUTLIER -45.4 -60.72 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.694 -179.751 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.0 -39.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.754 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 10' ' ' TYR . . . . . 0.472 ' O ' ' CB ' ' X' ' 11' ' ' SER . 0.1 OUTLIER -62.38 103.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.458 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 11' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' X' ' 10' ' ' TYR . 0.3 OUTLIER 164.07 -42.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.723 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -79.98 10.45 4.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.662 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.94 -45.99 3.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.344 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.732 HD23 ' N ' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -57.72 -39.78 78.06 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.469 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -74.65 50.5 0.43 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.506 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 16' ' ' AIB . . . . . 0.829 HB12 ' HB3' ' X' ' 19' ' ' ALA 2.459 . . . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.25 -0.886 . . . . 0.0 108.687 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -92.71 -18.84 22.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.364 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 12.2 ttm-85 -117.14 13.51 14.73 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . 0.829 ' HB3' HB12 ' X' ' 16' ' ' AIB . . . -128.1 -34.02 2.14 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.231 -1.349 . . . . 0.0 110.583 -178.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.536 ' O ' ' NE2' ' X' ' 24' ' ' GLN . 1.0 OUTLIER -80.86 -26.49 36.9 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.079 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.87 -5.91 54.9 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 22' ' ' PHE . . . . . 0.523 ' C ' ' H ' ' X' ' 24' ' ' GLN . 20.9 t80 -108.49 -66.26 1.06 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.842 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 23' ' ' VAL . . . . . 0.654 HG12 ' O ' ' X' ' 23' ' ' VAL . 65.9 t -58.15 1.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.35 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 24' ' ' GLN . . . . . 0.726 HE21 ' N ' ' X' ' 24' ' ' GLN . 0.0 OUTLIER -86.68 -22.02 26.34 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.557 -179.5 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 25' ' ' TRP . . . . . 0.611 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -102.98 -39.66 6.83 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 178.128 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 26' ' ' LEU . . . . . 0.611 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 14.2 tp -47.56 -39.77 17.36 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.795 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 27' ' ' MET . . . . . 0.586 ' SD ' ' N ' ' X' ' 28' ' ' ASN . 0.5 OUTLIER -91.37 -153.95 0.34 Allowed 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.631 -179.689 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 28' ' ' ASN . . . . . 0.586 ' N ' ' SD ' ' X' ' 27' ' ' MET . 1.1 t-20 56.42 33.41 22.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.613 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 3.5 p -140.32 107.43 5.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 101' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 102' ' ' GGL . . . . . 0.57 ' N ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 1' ' ' HIS . . . . . . . . . . . . . 20.9 m80 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 2' ' ' AIB . . . . . 0.467 HB13 ' O ' ' X' ' 5' ' ' THR . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.415 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 70.37 -62.94 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.072 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.5 -39.02 91.17 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . 0.467 ' O ' HB13 ' X' ' 2' ' ' AIB . 0.3 OUTLIER -134.3 82.36 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.105 0.479 . . . . 0.0 110.141 179.459 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . 0.407 ' H ' ' H ' ' X' ' 7' ' ' THR . 62.1 t80 -168.41 -11.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.449 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . 0.474 ' C ' ' N ' ' X' ' 9' ' ' ASP . 72.3 p -70.5 -34.78 72.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.646 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.2 -12.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.536 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 9' ' ' ASP . . . . . 0.474 ' N ' ' C ' ' X' ' 7' ' ' THR . 33.7 t70 -134.42 65.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.5 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.42 23.48 1.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.377 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 3.5 t -144.1 8.13 1.42 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.379 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -148.76 8.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.715 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.45 -80.21 0.37 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.785 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.465 ' H ' HD12 ' X' ' 14' ' ' LEU . 3.0 mp -51.82 -39.6 59.04 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -76.64 52.33 0.81 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 16' ' ' AIB . . . . . 0.788 HB12 ' HB3' ' X' ' 19' ' ' ALA 2.455 . . . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 114.928 -1.033 . . . . 0.0 108.474 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 11.1 mmm-85 -82.93 -20.03 36.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.913 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 18' ' ' ARG . . . . . 0.437 ' HB2' ' HG2' ' X' ' 103' ' ' PLM . 0.8 OUTLIER -116.02 18.18 15.59 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.103 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . 0.788 ' HB3' HB12 ' X' ' 16' ' ' AIB . . . -135.8 -35.52 0.79 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.649 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.493 ' C ' ' H ' ' X' ' 22' ' ' PHE . 1.3 tt0 -75.57 -63.78 1.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.267 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -53.58 -8.67 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.979 0.419 . . . . 0.0 110.185 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 22' ' ' PHE . . . . . 0.501 ' C ' ' H ' ' X' ' 24' ' ' GLN . 17.5 t80 -105.53 -69.89 0.8 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.359 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 23' ' ' VAL . . . . . 0.638 HG12 ' O ' ' X' ' 23' ' ' VAL . 74.4 t -56.02 -0.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.657 -179.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 24' ' ' GLN . . . . . 0.724 HE21 ' N ' ' X' ' 25' ' ' TRP . 1.6 pp0? -85.4 -15.81 41.87 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.585 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 25' ' ' TRP . . . . . 0.724 ' N ' HE21 ' X' ' 24' ' ' GLN . 0.0 OUTLIER -108.21 -37.98 5.88 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.486 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 26' ' ' LEU . . . . . 0.567 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.4 tp -51.52 -36.15 43.56 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.817 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.58 9.6 39.63 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.774 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 28' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' X' ' 28' ' ' ASN . 1.3 t-20 -95.7 31.35 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.495 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.18 152.89 49.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.542 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.974 -1.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 101' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 103' ' ' PLM . . . . . 0.437 ' HG2' ' HB2' ' X' ' 18' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 1' ' ' HIS . . . . . 0.516 ' O ' HB12 ' X' ' 2' ' ' AIB . 28.1 m80 . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 2' ' ' AIB . . . . . 0.516 HB12 ' O ' ' X' ' 1' ' ' HIS . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.264 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.68 -9.11 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.705 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 4' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' X' ' 2' ' ' AIB . . . -119.96 -6.67 9.97 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.346 -0.701 . . . . 0.0 111.346 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.11 11.66 3.9 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.259 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . 0.606 ' CD1' ' N ' ' X' ' 7' ' ' THR . 0.6 OUTLIER -98.73 -30.49 12.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.773 0.32 . . . . 0.0 110.618 179.728 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . 0.606 ' N ' ' CD1' ' X' ' 6' ' ' PHE . 68.5 p -41.06 -70.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.837 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 8' ' ' SER . . . . . 0.4 ' N ' ' OG1' ' X' ' 7' ' ' THR . 0.2 OUTLIER -73.52 27.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.008 -179.537 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 9' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' X' ' 7' ' ' THR . 18.3 m-20 -158.04 17.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.66 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 10' ' ' TYR . . . . . 0.572 ' CG ' ' N ' ' X' ' 11' ' ' SER . 53.3 t80 -104.4 178.83 4.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.605 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 11' ' ' SER . . . . . 0.572 ' N ' ' CG ' ' X' ' 10' ' ' TYR . 0.7 OUTLIER 56.33 22.73 6.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.182 -179.823 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -145.16 -44.55 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.857 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -100.26 -90.9 0.31 Allowed 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.06 -179.646 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.765 ' H ' HD23 ' X' ' 14' ' ' LEU . 0.0 OUTLIER -41.09 -38.0 0.96 Allowed 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.18 -179.134 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -77.87 45.78 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 16' ' ' AIB . . . . . 0.972 HB12 ' HB3' ' X' ' 19' ' ' ALA 2.454 . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 114.855 -1.066 . . . . 0.0 108.532 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -15.88 57.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.159 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -120.14 19.55 12.21 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . 0.972 ' HB3' HB12 ' X' ' 16' ' ' AIB . . . -139.96 -33.42 0.58 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.452 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.478 ' C ' ' H ' ' X' ' 22' ' ' PHE . 27.6 tt0 -77.03 -62.68 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.304 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -56.88 -5.67 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.265 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 22' ' ' PHE . . . . . 0.504 ' C ' ' H ' ' X' ' 24' ' ' GLN . 16.3 t80 -107.31 -71.14 0.77 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.407 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 23' ' ' VAL . . . . . 0.635 HG12 ' O ' ' X' ' 23' ' ' VAL . 88.5 t -55.27 -0.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.706 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 24' ' ' GLN . . . . . 0.717 HE21 ' N ' ' X' ' 25' ' ' TRP . 1.6 pp0? -85.48 -15.61 42.32 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.539 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 25' ' ' TRP . . . . . 0.717 ' N ' HE21 ' X' ' 24' ' ' GLN . 0.0 OUTLIER -108.19 -38.7 5.69 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.499 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 26' ' ' LEU . . . . . 0.578 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.4 tp -50.83 -36.23 36.39 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.817 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.2 3.8 54.26 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.909 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -100.98 -18.95 16.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.602 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 29' ' ' THR . . . . . 0.519 ' CG2' ' NE1' ' X' ' 25' ' ' TRP . 27.8 p -63.83 -114.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.523 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 120.001 -1.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 101' ' ' GGL . . . . . 0.469 ' O ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 102' ' ' GGL . . . . . 0.532 ' N ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' X' X ' 1' ' ' HIS . . . . . 0.495 ' O ' HB13 ' X' ' 2' ' ' AIB . 72.4 m80 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 2' ' ' AIB . . . . . 0.619 HB22 HG23 ' X' ' 5' ' ' THR . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.336 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 3' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' X' ' 2' ' ' AIB . 12.7 pt20 33.04 49.79 0.2 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.271 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.89 -14.47 0.17 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . 0.619 HG23 HB22 ' X' ' 2' ' ' AIB . 0.1 OUTLIER -135.96 -2.08 2.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 0.0 110.39 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . 0.572 ' HB3' HB21 ' X' ' 2' ' ' AIB . 0.0 OUTLIER -94.29 -6.03 45.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.522 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . 0.512 ' OG1' ' N ' ' X' ' 8' ' ' SER . 14.8 p -93.95 -67.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 8' ' ' SER . . . . . 0.512 ' N ' ' OG1' ' X' ' 7' ' ' THR . 32.9 t -63.44 72.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 9' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' X' ' 7' ' ' THR . 0.0 OUTLIER 165.33 -12.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.477 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 10' ' ' TYR . . . . . 0.485 ' C ' ' H ' ' X' ' 12' ' ' LYS . 0.1 OUTLIER -91.32 -53.79 4.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.61 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 82.8 p -50.01 -10.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 12' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' X' ' 10' ' ' TYR . 11.5 ttpt -134.55 83.37 2.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.939 0.4 . . . . 0.0 110.64 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . 0.649 ' NZ ' ' N ' ' X' ' 101' ' ' GGL . 0.0 OUTLIER -172.57 -45.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.97 179.808 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.675 HD23 ' N ' ' X' ' 14' ' ' LEU . 0.1 OUTLIER -51.63 -28.23 13.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.606 179.498 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 15' ' ' ASP . . . . . 0.631 ' O ' HB13 ' X' ' 16' ' ' AIB . 37.8 t70 -75.3 22.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.18 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 16' ' ' AIB . . . . . 0.631 HB13 ' O ' ' X' ' 15' ' ' ASP 2.456 . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.486 -0.779 . . . . 0.0 108.95 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.17 -15.73 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.353 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.64 3.84 10.65 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . 0.479 ' HB3' HB12 ' X' ' 16' ' ' AIB . . . -119.37 -36.44 3.36 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 113.964 -1.471 . . . . 0.0 110.233 -179.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.456 ' C ' ' N ' ' X' ' 22' ' ' PHE . 2.8 mt-30 -70.46 -75.66 0.12 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.989 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.74 -13.76 0.16 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.032 0.444 . . . . 0.0 110.079 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 22' ' ' PHE . . . . . 0.529 ' C ' ' H ' ' X' ' 24' ' ' GLN . 15.5 t80 -92.11 -72.99 0.56 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.091 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 23' ' ' VAL . . . . . 0.627 HG12 ' O ' ' X' ' 23' ' ' VAL . 85.3 t -54.0 -1.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.472 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 24' ' ' GLN . . . . . 0.708 HE21 ' N ' ' X' ' 24' ' ' GLN . 0.0 OUTLIER -83.77 -19.88 34.32 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.57 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 25' ' ' TRP . . . . . 0.573 ' CE3' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -105.78 -37.32 6.75 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.679 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 26' ' ' LEU . . . . . 0.573 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.0 tp -51.74 -33.77 36.29 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.866 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -96.38 10.25 38.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.449 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 28' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' X' ' 24' ' ' GLN . 25.4 m-20 -97.06 -65.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.507 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.44 -27.21 12.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.035 -1.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' X' X ' 101' ' ' GGL . . . . . 0.649 ' N ' ' NZ ' ' X' ' 13' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' X' X ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 1' ' ' HIS . . . . . . . . . . . . . 10.4 m80 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 2' ' ' AIB . . . . . 0.513 ' C ' ' H ' ' X' ' 4' ' ' GLY . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.336 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -70.3 40.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.452 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 4' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' X' ' 2' ' ' AIB . . . -172.02 -4.61 0.03 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.05 -25.33 0.97 Allowed 'General case' 0 C--O 1.231 0.106 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.234 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . 0.463 ' CD2' ' O ' ' X' ' 6' ' ' PHE . 0.1 OUTLIER -63.29 -12.67 31.07 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.426 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . 0.487 ' C ' ' H ' ' X' ' 9' ' ' ASP . 0.5 OUTLIER -98.84 -45.95 5.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.499 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.97 12.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.628 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 9' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' X' ' 7' ' ' THR . 3.0 m-20 -138.71 12.28 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.609 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 10' ' ' TYR . . . . . 0.475 ' CE1' ' CD ' ' X' ' 101' ' ' GGL . 0.1 OUTLIER -101.52 37.5 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.414 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.45 -27.08 5.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.351 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.08 73.79 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.616 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.25 -52.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.067 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.756 HD23 ' N ' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -57.78 -43.25 85.42 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.516 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -74.86 50.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.711 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 16' ' ' AIB . . . . . 0.603 HB12 ' HB3' ' X' ' 19' ' ' ALA 2.462 . . . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.042 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.68 -16.35 14.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 178.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 -118.43 6.09 11.79 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . 0.603 ' HB3' HB12 ' X' ' 16' ' ' AIB . . . -120.74 -41.31 2.58 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.338 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -66.82 -74.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.267 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.9 -32.47 1.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.144 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 22' ' ' PHE . . . . . 0.55 ' C ' ' H ' ' X' ' 24' ' ' GLN . 16.1 t80 -76.28 -73.25 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 23' ' ' VAL . . . . . 0.64 HG12 ' O ' ' X' ' 23' ' ' VAL . 92.7 t -56.91 0.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.02 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 24' ' ' GLN . . . . . 0.633 ' NE2' ' N ' ' X' ' 25' ' ' TRP . 0.0 OUTLIER -86.6 -29.21 22.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.734 -179.702 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 25' ' ' TRP . . . . . 0.633 ' N ' ' NE2' ' X' ' 24' ' ' GLN . 0.0 OUTLIER -101.14 -36.68 8.87 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.029 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 26' ' ' LEU . . . . . 0.576 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.1 tp -51.58 -32.79 29.85 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.875 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.12 9.07 43.4 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -89.56 -59.36 2.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.809 0.338 . . . . 0.0 110.604 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.3 -25.95 13.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.072 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 101' ' ' GGL . . . . . 0.475 ' CD ' ' CE1' ' X' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 102' ' ' GGL . . . . . 0.565 ' C ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 1' ' ' HIS . . . . . 0.409 ' O ' ' CD2' ' X' ' 6' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 2' ' ' AIB . . . . . 0.62 HB21 HG23 ' X' ' 5' ' ' THR . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -44.01 -21.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.978 0.418 . . . . 0.0 109.993 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 4' ' ' GLY . . . . . 0.469 ' N ' ' C ' ' X' ' 2' ' ' AIB . . . -88.8 -34.19 9.28 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . 0.62 HG23 HB21 ' X' ' 2' ' ' AIB . 0.1 OUTLIER -110.94 22.48 15.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.866 0.365 . . . . 0.0 110.747 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' X' ' 2' ' ' AIB . 0.1 OUTLIER -84.81 -54.81 4.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.842 179.535 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . 0.456 ' O ' ' CB ' ' X' ' 8' ' ' SER . 0.2 OUTLIER -43.83 169.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.582 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 8' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' X' ' 7' ' ' THR . 0.5 OUTLIER 78.13 -20.33 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.058 -179.674 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 9' ' ' ASP . . . . . 0.443 ' H ' ' C ' ' X' ' 7' ' ' THR . 5.8 m-20 -134.57 2.2 3.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.192 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 10' ' ' TYR . . . . . 0.627 ' CG ' ' N ' ' X' ' 11' ' ' SER . 39.1 t80 -140.43 167.36 22.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.145 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 11' ' ' SER . . . . . 0.627 ' N ' ' CG ' ' X' ' 10' ' ' TYR . 1.8 p 80.6 7.54 1.39 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.388 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -126.61 -31.39 2.72 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.785 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -103.38 -91.47 0.36 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.905 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.606 ' H ' ' CD2' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -40.53 -41.28 1.41 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.798 0.332 . . . . 0.0 110.331 -179.67 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -77.3 47.37 0.56 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 16' ' ' AIB . . . . . 0.578 HB12 ' HB3' ' X' ' 19' ' ' ALA 2.462 . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.281 -0.872 . . . . 0.0 108.981 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 17' ' ' ARG . . . . . 0.409 ' H ' ' H ' ' X' ' 16' ' ' AIB . 8.3 mmt180 -119.46 -15.96 8.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.949 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.75 2.6 12.27 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . 0.578 ' HB3' HB12 ' X' ' 16' ' ' AIB . . . -116.94 -38.13 3.47 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 113.846 -1.525 . . . . 0.0 110.199 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -69.23 -67.49 0.47 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.22 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.86 -27.76 8.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.238 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 22' ' ' PHE . . . . . 0.555 ' C ' ' H ' ' X' ' 24' ' ' GLN . 15.5 t80 -81.63 -72.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.999 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 23' ' ' VAL . . . . . 0.631 HG12 ' O ' ' X' ' 23' ' ' VAL . 91.0 t -55.45 -0.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.062 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 24' ' ' GLN . . . . . 0.637 ' NE2' ' N ' ' X' ' 25' ' ' TRP . 0.0 OUTLIER -83.31 -28.32 29.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.491 -179.801 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 25' ' ' TRP . . . . . 0.637 ' N ' ' NE2' ' X' ' 24' ' ' GLN . 0.0 OUTLIER -99.97 -36.76 9.27 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.093 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 26' ' ' LEU . . . . . 0.578 ' N ' ' CE3' ' X' ' 25' ' ' TRP . 13.1 tp -51.44 -36.08 42.4 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.883 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -95.6 9.76 39.07 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -95.4 -37.24 11.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.546 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 34.4 p -91.3 118.49 30.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.576 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.014 -1.679 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 101' ' ' GGL . . . . . 0.474 ' CB ' ' OE1' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 102' ' ' GGL . . . . . 0.569 ' C ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 103' ' ' PLM . . . . . 0.428 ' O2 ' ' OXT' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_