data_2n0i_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 2n0i _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 C--O 1.233 0.237 0 CA-C-O 121.322 0.582 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.228 0 CA-C-N 115.245 -0.889 . . . . 0.0 113.034 179.467 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.7 p90 . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 120.584 0.23 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.8 p -66.68 -13.06 60.78 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.3 p -41.23 -47.99 3.45 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -70.21 -44.53 68.45 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.728 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 26.6 t80 . . . . . 0 CA--C 1.532 0.259 0 CA-C-O 121.23 0.538 . . . . 0.0 110.49 179.59 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 . . . . . 0 C--O 1.233 0.232 0 CA-C-O 121.024 0.44 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.505 -178.767 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.8 t80 . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 120.446 0.165 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.0 t -59.26 -43.06 92.47 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.9 p -60.91 -37.38 82.06 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.636 0.255 . . . . 0.0 110.97 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -89.04 34.24 0.79 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.683 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.0 p90 . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 120.43 0.157 . . . . 0.0 110.948 179.7 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.35 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.945 -179.371 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.614 ' HA ' ' CE1' ' A' ' 10' ' ' PHE . 8.9 t -52.15 -32.96 38.17 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.9 p -52.77 -39.63 62.42 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -85.46 29.28 0.69 Allowed 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.614 ' CE1' ' HA ' ' A' ' 7' ' ' THR . 1.9 m-85 . . . . . 0 N--CA 1.465 0.293 0 CA-C-O 120.95 0.405 . . . . 0.0 110.369 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 . . . . . 0 N--CA 1.466 0.363 0 CA-C-O 121.288 0.566 . . . . 0.0 111.449 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.517 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.591 -179.317 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 7' ' ' THR . 7.3 p90 . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.401 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 89.0 m -62.17 -47.03 86.31 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.92 0.391 . . . . 0.0 110.307 178.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.4 t -59.74 -27.03 66.15 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.543 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -43.75 -39.51 3.77 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 122.426 0.29 . . . . 0.0 111.301 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.1 t80 . . . . . 0 CA--C 1.535 0.384 0 CA-C-O 121.441 0.639 . . . . 0.0 109.915 179.231 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.865 0.364 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.577 0 CA-C-N 115.908 -0.587 . . . . 0.0 113.397 -179.816 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.2 t80 . . . . . 0 CA--C 1.53 0.181 0 CA-C-O 120.6 0.238 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.463 ' HB ' ' HB3' ' A' ' 10' ' ' PHE . 69.1 p -92.11 43.24 1.13 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.043 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 m -50.44 -43.98 55.29 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.544 0.211 . . . . 0.0 111.365 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -61.43 -42.71 99.18 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.065 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.463 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 19.5 t80 . . . . . 0 CA--C 1.534 0.356 0 CA-C-O 121.097 0.475 . . . . 0.0 110.583 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.739 0.304 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.59 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.158 -179.557 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.3 p90 . . . . . 0 CA--C 1.534 0.335 0 CA-C-O 120.509 0.195 . . . . 0.0 111.321 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.3 m -57.9 -32.85 68.14 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.525 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.2 m -41.68 -30.66 0.24 Allowed 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -48.75 -24.23 1.33 Allowed 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.6 p90 . . . . . 0 N--CA 1.467 0.413 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.344 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 . . . . . 0 N--CA 1.466 0.371 0 CA-C-O 121.121 0.486 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.346 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.651 -179.248 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.1 t80 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.579 0.228 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 51.0 p -86.85 37.65 0.77 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.559 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.5 t -63.02 -41.14 99.48 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.655 0.264 . . . . 0.0 110.531 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -89.31 30.04 1.03 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.543 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.6 p90 . . . . . 0 CA--C 1.528 0.133 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 . . . . . 0 C--O 1.233 0.235 0 CA-C-O 121.064 0.459 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.688 -179.223 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 CA--C 1.531 0.249 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.418 HG21 ' O ' ' A' ' 7' ' ' THR . 16.4 m -90.84 39.36 0.98 Allowed 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.811 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.479 ' C ' ' H ' ' A' ' 10' ' ' PHE . 66.0 m -53.15 -48.65 67.78 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.12 -0.363 . . . . 0.0 110.916 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -71.78 35.0 0.06 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.609 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.479 ' H ' ' C ' ' A' ' 8' ' ' SER . 21.0 t80 . . . . . 0 CA--C 1.533 0.293 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.927 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 . . . . . 0 N--CA 1.464 0.233 0 CA-C-O 121.026 0.441 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.513 0 CA-C-N 115.696 -0.683 . . . . 0.0 112.028 -179.612 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.9 t80 . . . . . 0 N--CA 1.467 0.382 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.1 p -47.78 -37.78 14.23 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.4 t -47.93 -43.9 29.53 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.277 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -56.69 -49.03 76.32 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 N--CA 1.464 0.25 0 CA-C-O 121.342 0.591 . . . . 0.0 110.654 179.43 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.413 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.179 -178.809 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 . . . . . 0 CA--C 1.53 0.183 0 CA-C-O 120.455 0.169 . . . . 0.0 111.335 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.3 m -55.74 -44.16 77.3 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.106 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.2 t -52.67 -42.76 65.02 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.891 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.52 -43.82 93.32 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.762 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 121.4 0.619 . . . . 0.0 110.391 179.416 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.048 0.451 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.715 -179.725 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.1 t80 . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.588 0.232 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 90.3 m -60.92 -32.37 71.87 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.518 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 t -50.91 -40.47 56.98 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.301 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.74 -46.08 90.24 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.961 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 . . . . . 0 N--CA 1.463 0.2 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.716 179.85 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 . . . . . 0 C--O 1.234 0.244 0 CA-C-O 120.798 0.333 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.537 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.281 -179.044 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.9 t -57.71 -49.02 77.91 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.415 0.15 . . . . 0.0 111.194 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.1 t -66.4 -41.14 89.77 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.871 0.367 . . . . 0.0 110.283 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -62.85 -25.56 68.34 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.523 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 32.6 t80 . . . . . 0 N--CA 1.466 0.333 0 CA-C-O 120.579 0.228 . . . . 0.0 110.933 -179.557 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 . . . . . 0 CA--C 1.532 0.259 0 CA-C-O 121.213 0.53 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.512 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.448 -179.666 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 27.5 t80 . . . . . 0 N--CA 1.467 0.401 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.8 m -75.73 -35.34 60.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.359 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.9 m -56.45 -41.03 75.79 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.466 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -85.61 38.93 0.77 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.396 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.6 p90 . . . . . 0 CA--C 1.531 0.238 0 CA-C-O 120.525 0.202 . . . . 0.0 111.087 179.236 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.182 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.376 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.281 -178.953 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.7 p90 . . . . . 0 N--CA 1.466 0.339 0 CA-C-O 120.529 0.204 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.7 t -54.54 -40.47 68.7 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.6 p -51.67 -48.7 63.35 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.475 0.179 . . . . 0.0 111.47 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -77.21 -27.29 53.43 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.476 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.468 0.451 0 CA-C-O 120.696 0.284 . . . . 0.0 110.761 179.146 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 C--O 1.233 0.217 0 CA-C-O 121.288 0.566 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.131 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.58 179.761 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 120.558 0.218 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.1 m -87.88 40.01 0.92 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.928 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.4 p -56.35 -38.71 71.75 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.27 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -51.55 -39.81 58.5 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.665 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.6 t80 . . . . . 0 N--CA 1.464 0.269 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.315 179.871 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 68.8 t60 . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.583 0.23 . . . . 0.0 111.437 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' KCY . . . . . 0.727 ' HG ' ' HB3' ' A' ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -56.64 107.62 0.41 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.322 0.582 . . . . 0.0 112.084 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.02 44.02 69.55 Favored Glycine 0 C--N 1.33 0.228 0 CA-C-N 115.245 -0.889 . . . . 0.0 113.034 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HCS . . . . . 0.727 ' HB3' ' HG ' ' A' ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -71.03 -30.8 67.09 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.896 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.8 p -66.68 -13.06 60.78 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.554 ' HB3' ' HG2' ' A' ' 5' ' ' HCS . 77.3 p -41.23 -47.99 3.45 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.569 ' O ' ' N ' ' A' ' 11' ' ' PH8 . 50.2 m-20 -70.21 -44.53 68.45 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.728 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -61.75 54.47 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.23 0.538 . . . . 0.0 110.49 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . 0.569 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.161 0 O-C-N 122.406 -0.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.453 ' O ' ' HBA' ' A' ' 2' ' ' KCY . 17.6 t60 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' KCY . . . . . 0.453 ' HBA' ' O ' ' A' ' 1' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -66.54 102.12 0.86 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.024 0.44 . . . . 0.0 109.94 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.8 -41.46 1.52 Allowed Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.505 -178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HCS . . . . . 0.422 ' HG2' ' HB ' ' A' ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -55.2 -37.49 67.18 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.259 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.0 t -59.26 -43.06 92.47 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.9 p -60.91 -37.38 82.06 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.636 0.255 . . . . 0.0 110.97 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -89.04 34.24 0.79 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.683 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.497 ' CE1' ' HB ' ' A' ' 11' ' ' PH8 . 21.0 p90 -62.87 -36.21 82.54 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.43 0.157 . . . . 0.0 110.948 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . 0.497 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.174 0 O-C-N 122.041 -0.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 49.0 m170 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 120.474 0.178 . . . . 0.0 111.314 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.82 99.95 0.27 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.458 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.66 -39.92 1.0 Allowed Glycine 0 C--N 1.332 0.35 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.945 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -52.61 -37.51 58.44 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.7 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.614 ' HA ' ' CE1' ' A' ' 10' ' ' PHE . 8.9 t -52.15 -32.96 38.17 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.9 p -52.77 -39.63 62.42 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -85.46 29.28 0.69 Allowed 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.614 ' CE1' ' HA ' ' A' ' 7' ' ' THR . 1.9 m-85 -65.06 -32.87 74.8 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.95 0.405 . . . . 0.0 110.369 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.114 0 O-C-N 122.284 -0.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.482 ' HB3' ' HG2' ' A' ' 3' ' ' GLU . 52.1 m170 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 120.673 0.273 . . . . 0.0 111.334 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.482 ' HG2' ' HB3' ' A' ' 1' ' ' HIS . 10.9 pt-20 -46.23 101.39 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.288 0.566 . . . . 0.0 111.449 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.96 -29.63 0.48 Allowed Glycine 0 CA--C 1.522 0.517 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.591 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 7' ' ' THR . 7.3 p90 -47.72 -33.23 6.72 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.049 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.401 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 89.0 m -62.17 -47.03 86.31 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.92 0.391 . . . . 0.0 110.307 178.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.4 t -59.74 -27.03 66.15 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.543 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.851 ' O ' ' N ' ' A' ' 11' ' ' PH8 . 49.7 t0 -43.75 -39.51 3.77 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 122.426 0.29 . . . . 0.0 111.301 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -54.51 49.4 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.441 0.639 . . . . 0.0 109.915 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . 0.851 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.139 0 CA-C-N 116.756 -0.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.442 ' O ' ' HB ' ' A' ' 2' ' ' KCY . 91.6 m-70 . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 120.411 0.148 . . . . 0.0 111.314 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' KCY . . . . . 0.764 ' SD ' ' HCA' ' A' ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -56.37 103.07 0.09 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.865 0.364 . . . . 0.0 111.178 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.25 -31.64 5.02 Favored Glycine 0 C--N 1.336 0.577 0 CA-C-N 115.908 -0.587 . . . . 0.0 113.397 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HCS . . . . . 0.764 ' HCA' ' SD ' ' A' ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -55.15 -47.81 74.59 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.011 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.463 ' HB ' ' HB3' ' A' ' 10' ' ' PHE . 69.1 p -92.11 43.24 1.13 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.043 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 m -50.44 -43.98 55.29 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.544 0.211 . . . . 0.0 111.365 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.632 ' C ' ' HN ' ' A' ' 11' ' ' PH8 . 54.6 m-20 -61.43 -42.71 99.18 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.065 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.463 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 19.5 t80 -63.53 37.95 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.097 0.475 . . . . 0.0 110.583 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . 0.632 ' HN ' ' C ' ' A' ' 9' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.095 0 O-C-N 122.106 -0.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.534 ' O ' ' HG ' ' A' ' 2' ' ' KCY . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' KCY . . . . . 0.534 ' HG ' ' O ' ' A' ' 1' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -63.48 105.07 0.71 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.739 0.304 . . . . 0.0 110.535 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.85 -16.56 60.77 Favored Glycine 0 CA--C 1.523 0.59 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.158 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HCS . . . . . 0.411 ' HB2' ' HBA' ' A' ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -62.51 -31.54 72.32 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.321 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.3 m -57.9 -32.85 68.14 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.525 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.417 ' HB3' ' HE2' ' A' ' 11' ' ' PH8 . 69.2 m -41.68 -30.66 0.24 Allowed 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -48.75 -24.23 1.33 Allowed 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 11' ' ' PH8 . 5.6 p90 -52.29 -31.92 35.09 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . 0.417 ' HE2' ' HB3' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 O-C-N 122.43 -0.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 76.0 t60 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -40.03 103.32 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.121 0.486 . . . . 0.0 111.418 -178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.39 -29.85 0.63 Allowed Glycine 0 CA--C 1.52 0.346 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.651 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.12 -51.53 68.94 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.35 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 51.0 p -86.85 37.65 0.77 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.559 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.5 t -63.02 -41.14 99.48 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.655 0.264 . . . . 0.0 110.531 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -89.31 30.04 1.03 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.543 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -67.94 -38.31 82.69 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.084 0 O-C-N 121.765 -0.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 120.844 0.354 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' KCY . . . . . 0.505 ' O ' ' HG ' ' A' ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -54.55 95.66 0.01 OUTLIER 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.064 0.459 . . . . 0.0 110.501 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.94 -41.99 0.32 Allowed Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.688 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -60.75 -40.85 94.02 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 122.312 -0.243 . . . . 0.0 110.426 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.418 HG21 ' O ' ' A' ' 7' ' ' THR . 16.4 m -90.84 39.36 0.98 Allowed 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.811 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.479 ' C ' ' H ' ' A' ' 10' ' ' PHE . 66.0 m -53.15 -48.65 67.78 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.12 -0.363 . . . . 0.0 110.916 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -71.78 35.0 0.06 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.609 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.479 ' H ' ' C ' ' A' ' 8' ' ' SER . 21.0 t80 -55.8 -36.16 67.11 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.927 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.801 -0.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 120.403 0.144 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' KCY . . . . . 0.75 ' HB ' ' HB3' ' A' ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -64.58 104.33 0.79 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.026 0.441 . . . . 0.0 111.596 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.32 40.73 85.95 Favored Glycine 0 C--N 1.335 0.513 0 CA-C-N 115.696 -0.683 . . . . 0.0 112.028 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HCS . . . . . 0.75 ' HB3' ' HB ' ' A' ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -53.15 -30.72 38.67 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.935 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.1 p -47.78 -37.78 14.23 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.603 ' HB2' ' SD ' ' A' ' 2' ' ' KCY . 36.4 t -47.93 -43.9 29.53 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.277 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -56.69 -49.03 76.32 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.555 ' O ' ' HB ' ' A' ' 11' ' ' PH8 . 2.6 m-85 -71.8 67.78 0.6 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.342 0.591 . . . . 0.0 110.654 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . 0.555 ' HB ' ' O ' ' A' ' 10' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.078 0 O-C-N 122.343 -0.223 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.504 ' O ' ' HB ' ' A' ' 2' ' ' KCY . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' KCY . . . . . 0.504 ' HB ' ' O ' ' A' ' 1' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -57.66 98.23 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 110.176 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.62 -34.39 1.89 Allowed Glycine 0 CA--C 1.521 0.413 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.179 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -53.57 -39.31 64.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.335 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.3 m -55.74 -44.16 77.3 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.106 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.2 t -52.67 -42.76 65.02 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.891 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' A' ' 11' ' ' PH8 . 2.0 m-20 -59.52 -43.82 93.32 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.762 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -61.95 49.16 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.4 0.619 . . . . 0.0 110.391 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . 0.605 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.143 0 O-C-N 122.425 -0.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.405 ' O ' ' CB ' ' A' ' 2' ' ' KCY . 98.0 m-70 . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 120.438 0.161 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' KCY . . . . . 0.405 ' CB ' ' O ' ' A' ' 1' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.6 98.36 0.18 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.048 0.451 . . . . 0.0 110.882 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.55 -37.86 0.51 Allowed Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.715 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -60.26 -43.46 96.14 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.94 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 90.3 m -60.92 -32.37 71.87 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.518 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 t -50.91 -40.47 56.98 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.301 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.74 -46.08 90.24 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.961 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -61.16 -46.21 91.44 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.716 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.108 0 O-C-N 122.074 -0.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 77.4 t60 . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.609 0.242 . . . . 0.0 111.474 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' KCY . . . . . 0.601 ' C ' ' SD ' ' A' ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.06 101.95 1.23 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.798 0.333 . . . . 0.0 110.229 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.1 -21.74 5.18 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.281 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HCS . . . . . 0.407 ' N ' ' SD ' ' A' ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -47.92 -42.67 27.77 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.066 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.9 t -57.71 -49.02 77.91 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.415 0.15 . . . . 0.0 111.194 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.1 t -66.4 -41.14 89.77 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.871 0.367 . . . . 0.0 110.283 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -62.85 -25.56 68.34 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.523 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -49.85 -32.57 14.63 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.579 0.228 . . . . 0.0 110.933 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 116.24 -0.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.572 ' O ' ' N ' ' A' ' 3' ' ' GLU . 86.8 m-70 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 120.552 0.215 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 1' ' ' HIS . 14.5 pt-20 -43.38 104.84 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.778 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.85 -40.05 2.37 Favored Glycine 0 C--N 1.335 0.512 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.448 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HCS . . . . . 0.648 ' HB2' ' HB2' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -45.77 -52.33 11.29 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.811 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.8 m -75.73 -35.34 60.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.359 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.648 ' HB2' ' HB2' ' A' ' 5' ' ' HCS . 49.9 m -56.45 -41.03 75.79 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.466 -179.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -85.61 38.93 0.77 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.396 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 11' ' ' PH8 . 7.6 p90 -58.7 -35.56 72.83 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.525 0.202 . . . . 0.0 111.087 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . 0.423 ' N ' ' CD1' ' A' ' 10' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.147 0 O-C-N 122.178 -0.326 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.55 ' O ' ' N ' ' A' ' 3' ' ' GLU . 41.9 m80 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 120.656 0.265 . . . . 0.0 111.668 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.55 ' N ' ' O ' ' A' ' 1' ' ' HIS . 0.1 OUTLIER -54.45 103.42 0.08 Allowed 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.425 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.23 41.04 5.93 Favored Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.281 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -56.89 -35.52 69.06 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.483 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.7 t -54.54 -40.47 68.7 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.6 p -51.67 -48.7 63.35 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.475 0.179 . . . . 0.0 111.47 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -77.21 -27.29 53.43 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.476 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.25 -44.43 83.87 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.696 0.284 . . . . 0.0 110.761 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.162 0 O-C-N 122.3 -0.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 54.5 t60 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.768 0.318 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' KCY . . . . . 0.61 ' HG ' ' HB3' ' A' ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -42.98 108.22 0.1 Allowed 'General case' 0 C--N 1.342 0.254 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.102 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.56 42.76 6.77 Favored Glycine 0 N--CA 1.454 -0.131 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.58 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HCS . . . . . 0.61 ' HB3' ' HG ' ' A' ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.48 -36.29 71.29 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.814 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.1 m -87.88 40.01 0.92 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.928 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.4 p -56.35 -38.71 71.75 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.27 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -51.55 -39.81 58.5 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.665 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -54.27 -39.27 66.73 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.315 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PH8 . . . . . 0.409 ' HA ' ' HJA' ' A' ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.137 0 O-C-N 122.425 -0.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 C--O 1.233 0.237 0 CA-C-O 121.322 0.582 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.228 0 CA-C-N 115.245 -0.889 . . . . 0.0 113.034 179.467 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.549 ' CE1' HG23 ' A' ' 7' ' ' THR . 13.7 p90 . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 120.584 0.23 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.549 HG23 ' CE1' ' A' ' 6' ' ' PHE . 62.8 p -66.68 -13.06 60.78 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.3 p -41.23 -47.99 3.45 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -70.21 -44.53 68.45 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.728 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 26.6 t80 . . . . . 0 CA--C 1.532 0.259 0 CA-C-O 121.23 0.538 . . . . 0.0 110.49 179.59 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 . . . . . 0 C--O 1.233 0.232 0 CA-C-O 121.024 0.44 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.505 -178.767 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.8 t80 . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 120.446 0.165 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.0 t -59.26 -43.06 92.47 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.9 p -60.91 -37.38 82.06 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.636 0.255 . . . . 0.0 110.97 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -89.04 34.24 0.79 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.683 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.0 p90 . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 120.43 0.157 . . . . 0.0 110.948 179.7 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.35 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.945 -179.371 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.617 ' HA ' ' CE1' ' A' ' 10' ' ' PHE . 8.9 t -52.15 -32.96 38.17 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.9 p -52.77 -39.63 62.42 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -85.46 29.28 0.69 Allowed 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.617 ' CE1' ' HA ' ' A' ' 7' ' ' THR . 1.9 m-85 . . . . . 0 N--CA 1.465 0.293 0 CA-C-O 120.95 0.405 . . . . 0.0 110.369 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 . . . . . 0 N--CA 1.466 0.363 0 CA-C-O 121.288 0.566 . . . . 0.0 111.449 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.517 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.591 -179.317 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 7' ' ' THR . 7.3 p90 . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.401 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 89.0 m -62.17 -47.03 86.31 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.92 0.391 . . . . 0.0 110.307 178.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.4 t -59.74 -27.03 66.15 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.543 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -43.75 -39.51 3.77 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 122.426 0.29 . . . . 0.0 111.301 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.1 t80 . . . . . 0 CA--C 1.535 0.384 0 CA-C-O 121.441 0.639 . . . . 0.0 109.915 179.231 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.865 0.364 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.577 0 CA-C-N 115.908 -0.587 . . . . 0.0 113.397 -179.816 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.2 t80 . . . . . 0 CA--C 1.53 0.181 0 CA-C-O 120.6 0.238 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.49 ' HB ' ' HB3' ' A' ' 10' ' ' PHE . 69.1 p -92.11 43.24 1.13 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.043 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 m -50.44 -43.98 55.29 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.544 0.211 . . . . 0.0 111.365 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -61.43 -42.71 99.18 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.065 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.49 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 19.5 t80 . . . . . 0 CA--C 1.534 0.356 0 CA-C-O 121.097 0.475 . . . . 0.0 110.583 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.739 0.304 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.59 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.158 -179.557 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.3 p90 . . . . . 0 CA--C 1.534 0.335 0 CA-C-O 120.509 0.195 . . . . 0.0 111.321 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.508 HG22 ' HD2' ' A' ' 10' ' ' PHE . 91.3 m -57.9 -32.85 68.14 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.525 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.2 m -41.68 -30.66 0.24 Allowed 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -48.75 -24.23 1.33 Allowed 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.508 ' HD2' HG22 ' A' ' 7' ' ' THR . 5.6 p90 . . . . . 0 N--CA 1.467 0.413 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 . . . . . 0 N--CA 1.466 0.371 0 CA-C-O 121.121 0.486 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.346 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.651 -179.248 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.1 t80 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.579 0.228 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 51.0 p -86.85 37.65 0.77 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.559 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.5 t -63.02 -41.14 99.48 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.655 0.264 . . . . 0.0 110.531 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -89.31 30.04 1.03 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.543 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.6 p90 . . . . . 0 CA--C 1.528 0.133 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 . . . . . 0 C--O 1.233 0.235 0 CA-C-O 121.064 0.459 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.688 -179.223 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 CA--C 1.531 0.249 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 7' ' ' THR . 16.4 m -90.84 39.36 0.98 Allowed 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.811 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.449 ' C ' ' H ' ' A' ' 10' ' ' PHE . 66.0 m -53.15 -48.65 67.78 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.12 -0.363 . . . . 0.0 110.916 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -71.78 35.0 0.06 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.609 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.449 ' H ' ' C ' ' A' ' 8' ' ' SER . 21.0 t80 . . . . . 0 CA--C 1.533 0.293 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.927 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 . . . . . 0 N--CA 1.464 0.233 0 CA-C-O 121.026 0.441 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.513 0 CA-C-N 115.696 -0.683 . . . . 0.0 112.028 -179.612 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.9 t80 . . . . . 0 N--CA 1.467 0.382 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.1 p -47.78 -37.78 14.23 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.4 t -47.93 -43.9 29.53 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.277 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -56.69 -49.03 76.32 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 N--CA 1.464 0.25 0 CA-C-O 121.342 0.591 . . . . 0.0 110.654 179.43 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.413 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.179 -178.809 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 . . . . . 0 CA--C 1.53 0.183 0 CA-C-O 120.455 0.169 . . . . 0.0 111.335 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.3 m -55.74 -44.16 77.3 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.106 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.2 t -52.67 -42.76 65.02 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.891 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.52 -43.82 93.32 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.762 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 121.4 0.619 . . . . 0.0 110.391 179.416 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.048 0.451 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.715 -179.725 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.1 t80 . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.588 0.232 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 90.3 m -60.92 -32.37 71.87 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.518 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 t -50.91 -40.47 56.98 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.301 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.74 -46.08 90.24 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.961 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 . . . . . 0 N--CA 1.463 0.2 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.716 179.85 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 . . . . . 0 C--O 1.234 0.244 0 CA-C-O 120.798 0.333 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.537 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.281 -179.044 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 8' ' ' SER . 7.9 t -57.71 -49.02 77.91 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.415 0.15 . . . . 0.0 111.194 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.439 ' N ' HG23 ' A' ' 7' ' ' THR . 38.1 t -66.4 -41.14 89.77 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.871 0.367 . . . . 0.0 110.283 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -62.85 -25.56 68.34 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.523 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 32.6 t80 . . . . . 0 N--CA 1.466 0.333 0 CA-C-O 120.579 0.228 . . . . 0.0 110.933 -179.557 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 . . . . . 0 CA--C 1.532 0.259 0 CA-C-O 121.213 0.53 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.512 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.448 -179.666 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 27.5 t80 . . . . . 0 N--CA 1.467 0.401 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.8 m -75.73 -35.34 60.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.359 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.9 m -56.45 -41.03 75.79 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.466 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -85.61 38.93 0.77 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.396 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.6 p90 . . . . . 0 CA--C 1.531 0.238 0 CA-C-O 120.525 0.202 . . . . 0.0 111.087 179.236 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.182 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.376 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.281 -178.953 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.7 p90 . . . . . 0 N--CA 1.466 0.339 0 CA-C-O 120.529 0.204 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.7 t -54.54 -40.47 68.7 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.6 p -51.67 -48.7 63.35 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.475 0.179 . . . . 0.0 111.47 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -77.21 -27.29 53.43 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.476 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.468 0.451 0 CA-C-O 120.696 0.284 . . . . 0.0 110.761 179.146 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 C--O 1.233 0.217 0 CA-C-O 121.288 0.566 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.131 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.58 179.761 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 120.558 0.218 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 7' ' ' THR . 23.1 m -87.88 40.01 0.92 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.928 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.4 p -56.35 -38.71 71.75 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.27 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -51.55 -39.81 58.5 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.665 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.465 ' CB ' HG22 ' A' ' 7' ' ' THR . 18.6 t80 . . . . . 0 N--CA 1.464 0.269 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.315 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.583 0.23 . . . . 0.0 111.437 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' KCY . . . . . 0.535 ' CG ' ' HB2' ' A' ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -56.64 107.62 0.41 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.322 0.582 . . . . 0.0 112.084 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.02 44.02 69.55 Favored Glycine 0 C--N 1.33 0.228 0 CA-C-N 115.245 -0.889 . . . . 0.0 113.034 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HCS . . . . . 0.566 ' HG3' ' HB3' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.549 ' CE1' HG23 ' A' ' 7' ' ' THR . 13.7 p90 -71.03 -30.8 67.09 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.896 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.549 HG23 ' CE1' ' A' ' 6' ' ' PHE . 62.8 p -66.68 -13.06 60.78 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.566 ' HB3' ' HG3' ' A' ' 5' ' ' HCS . 77.3 p -41.23 -47.99 3.45 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.628 ' O ' ' N ' ' A' ' 11' ' ' PH8 . 50.2 m-20 -70.21 -44.53 68.45 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.728 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -61.75 54.47 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.23 0.538 . . . . 0.0 110.49 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . 0.628 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.161 0 O-C-N 122.406 -0.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.6 t60 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -66.54 102.12 0.86 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.024 0.44 . . . . 0.0 109.94 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.8 -41.46 1.52 Allowed Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.505 -178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -55.2 -37.49 67.18 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.259 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.0 t -59.26 -43.06 92.47 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.9 p -60.91 -37.38 82.06 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.636 0.255 . . . . 0.0 110.97 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -89.04 34.24 0.79 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.683 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -62.87 -36.21 82.54 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.43 0.157 . . . . 0.0 110.948 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.174 0 O-C-N 122.041 -0.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 49.0 m170 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 120.474 0.178 . . . . 0.0 111.314 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.82 99.95 0.27 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.458 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.66 -39.92 1.0 Allowed Glycine 0 C--N 1.332 0.35 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.945 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -52.61 -37.51 58.44 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.7 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.617 ' HA ' ' CE1' ' A' ' 10' ' ' PHE . 8.9 t -52.15 -32.96 38.17 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.9 p -52.77 -39.63 62.42 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -85.46 29.28 0.69 Allowed 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.617 ' CE1' ' HA ' ' A' ' 7' ' ' THR . 1.9 m-85 -65.06 -32.87 74.8 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.95 0.405 . . . . 0.0 110.369 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.114 0 O-C-N 122.284 -0.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.507 ' HB3' ' HG2' ' A' ' 3' ' ' GLU . 52.1 m170 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 120.673 0.273 . . . . 0.0 111.334 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.507 ' HG2' ' HB3' ' A' ' 1' ' ' HIS . 10.9 pt-20 -46.23 101.39 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.288 0.566 . . . . 0.0 111.449 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.96 -29.63 0.48 Allowed Glycine 0 CA--C 1.522 0.517 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.591 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 7' ' ' THR . 7.3 p90 -47.72 -33.23 6.72 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.049 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.401 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 89.0 m -62.17 -47.03 86.31 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.92 0.391 . . . . 0.0 110.307 178.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.4 t -59.74 -27.03 66.15 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.543 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.855 ' O ' ' N ' ' A' ' 11' ' ' PH8 . 49.7 t0 -43.75 -39.51 3.77 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 122.426 0.29 . . . . 0.0 111.301 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -54.51 49.4 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.441 0.639 . . . . 0.0 109.915 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . 0.855 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.139 0 CA-C-N 116.756 -0.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 120.411 0.148 . . . . 0.0 111.314 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' KCY . . . . . 0.78 ' SD ' ' HCA' ' A' ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -56.37 103.07 0.09 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.865 0.364 . . . . 0.0 111.178 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.25 -31.64 5.02 Favored Glycine 0 C--N 1.336 0.577 0 CA-C-N 115.908 -0.587 . . . . 0.0 113.397 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HCS . . . . . 0.78 ' HCA' ' SD ' ' A' ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -55.15 -47.81 74.59 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.011 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.49 ' HB ' ' HB3' ' A' ' 10' ' ' PHE . 69.1 p -92.11 43.24 1.13 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.043 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 m -50.44 -43.98 55.29 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.544 0.211 . . . . 0.0 111.365 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.582 ' O ' ' N ' ' A' ' 11' ' ' PH8 . 54.6 m-20 -61.43 -42.71 99.18 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.065 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.49 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 19.5 t80 -63.53 37.95 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.097 0.475 . . . . 0.0 110.583 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . 0.582 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.095 0 O-C-N 122.106 -0.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -63.48 105.07 0.71 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.739 0.304 . . . . 0.0 110.535 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.85 -16.56 60.77 Favored Glycine 0 CA--C 1.523 0.59 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.158 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -62.51 -31.54 72.32 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.321 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.508 HG22 ' HD2' ' A' ' 10' ' ' PHE . 91.3 m -57.9 -32.85 68.14 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.525 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.2 m -41.68 -30.66 0.24 Allowed 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -48.75 -24.23 1.33 Allowed 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.508 ' HD2' HG22 ' A' ' 7' ' ' THR . 5.6 p90 -52.29 -31.92 35.09 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . 0.416 ' N ' ' CD1' ' A' ' 10' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 O-C-N 122.43 -0.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 76.0 t60 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -40.03 103.32 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.121 0.486 . . . . 0.0 111.418 -178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.39 -29.85 0.63 Allowed Glycine 0 CA--C 1.52 0.346 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.651 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.12 -51.53 68.94 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.35 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 51.0 p -86.85 37.65 0.77 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.559 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.5 t -63.02 -41.14 99.48 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.655 0.264 . . . . 0.0 110.531 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -89.31 30.04 1.03 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.543 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -67.94 -38.31 82.69 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.084 0 O-C-N 121.765 -0.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 120.844 0.354 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -54.55 95.66 0.01 OUTLIER 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.064 0.459 . . . . 0.0 110.501 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.94 -41.99 0.32 Allowed Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.688 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -60.75 -40.85 94.02 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 122.312 -0.243 . . . . 0.0 110.426 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 7' ' ' THR . 16.4 m -90.84 39.36 0.98 Allowed 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.811 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.449 ' C ' ' H ' ' A' ' 10' ' ' PHE . 66.0 m -53.15 -48.65 67.78 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.12 -0.363 . . . . 0.0 110.916 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -71.78 35.0 0.06 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.609 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.449 ' H ' ' C ' ' A' ' 8' ' ' SER . 21.0 t80 -55.8 -36.16 67.11 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.927 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.801 -0.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 120.403 0.144 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' KCY . . . . . 0.757 ' CB ' ' HB2' ' A' ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -64.58 104.33 0.79 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.026 0.441 . . . . 0.0 111.596 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.32 40.73 85.95 Favored Glycine 0 C--N 1.335 0.513 0 CA-C-N 115.696 -0.683 . . . . 0.0 112.028 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HCS . . . . . 0.757 ' HB2' ' CB ' ' A' ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -53.15 -30.72 38.67 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.935 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.1 p -47.78 -37.78 14.23 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.605 ' HB2' ' SD ' ' A' ' 2' ' ' KCY . 36.4 t -47.93 -43.9 29.53 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.277 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -56.69 -49.03 76.32 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -71.8 67.78 0.6 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.342 0.591 . . . . 0.0 110.654 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.078 0 O-C-N 122.343 -0.223 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -57.66 98.23 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 110.176 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.62 -34.39 1.89 Allowed Glycine 0 CA--C 1.521 0.413 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.179 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -53.57 -39.31 64.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.335 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.3 m -55.74 -44.16 77.3 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.106 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.2 t -52.67 -42.76 65.02 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.891 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.65 ' O ' ' N ' ' A' ' 11' ' ' PH8 . 2.0 m-20 -59.52 -43.82 93.32 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.762 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -61.95 49.16 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.4 0.619 . . . . 0.0 110.391 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . 0.65 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.143 0 O-C-N 122.425 -0.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.405 ' O ' ' CB ' ' A' ' 2' ' ' KCY . 98.0 m-70 . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 120.438 0.161 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' KCY . . . . . 0.405 ' CB ' ' O ' ' A' ' 1' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.6 98.36 0.18 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.048 0.451 . . . . 0.0 110.882 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.55 -37.86 0.51 Allowed Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.715 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -60.26 -43.46 96.14 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.94 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 90.3 m -60.92 -32.37 71.87 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.518 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 t -50.91 -40.47 56.98 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.301 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.74 -46.08 90.24 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.961 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -61.16 -46.21 91.44 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.716 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.108 0 O-C-N 122.074 -0.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 77.4 t60 . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.609 0.242 . . . . 0.0 111.474 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' KCY . . . . . 0.601 ' SD ' ' C ' ' A' ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.06 101.95 1.23 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.798 0.333 . . . . 0.0 110.229 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.1 -21.74 5.18 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.281 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -47.92 -42.67 27.77 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.066 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 8' ' ' SER . 7.9 t -57.71 -49.02 77.91 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.415 0.15 . . . . 0.0 111.194 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.439 ' N ' HG23 ' A' ' 7' ' ' THR . 38.1 t -66.4 -41.14 89.77 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.871 0.367 . . . . 0.0 110.283 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -62.85 -25.56 68.34 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.523 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -49.85 -32.57 14.63 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.579 0.228 . . . . 0.0 110.933 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 116.24 -0.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.623 ' O ' ' N ' ' A' ' 3' ' ' GLU . 86.8 m-70 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 120.552 0.215 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 1' ' ' HIS . 14.5 pt-20 -43.38 104.84 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.778 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.85 -40.05 2.37 Favored Glycine 0 C--N 1.335 0.512 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.448 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HCS . . . . . 0.673 ' HB3' ' HB2' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -45.77 -52.33 11.29 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.811 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.8 m -75.73 -35.34 60.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.359 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.673 ' HB2' ' HB3' ' A' ' 5' ' ' HCS . 49.9 m -56.45 -41.03 75.79 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.466 -179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -85.61 38.93 0.77 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.396 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 11' ' ' PH8 . 7.6 p90 -58.7 -35.56 72.83 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.525 0.202 . . . . 0.0 111.087 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . 0.423 ' N ' ' CD1' ' A' ' 10' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.147 0 O-C-N 122.178 -0.326 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.55 ' O ' ' N ' ' A' ' 3' ' ' GLU . 41.9 m80 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 120.656 0.265 . . . . 0.0 111.668 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.55 ' N ' ' O ' ' A' ' 1' ' ' HIS . 0.1 OUTLIER -54.45 103.42 0.08 Allowed 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.425 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.23 41.04 5.93 Favored Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.281 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -56.89 -35.52 69.06 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.483 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.7 t -54.54 -40.47 68.7 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.6 p -51.67 -48.7 63.35 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.475 0.179 . . . . 0.0 111.47 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -77.21 -27.29 53.43 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.476 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.25 -44.43 83.87 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.696 0.284 . . . . 0.0 110.761 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.162 0 O-C-N 122.3 -0.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.768 0.318 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' KCY . . . . . 0.493 ' CG ' ' HB2' ' A' ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -42.98 108.22 0.1 Allowed 'General case' 0 C--N 1.342 0.254 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.102 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.56 42.76 6.77 Favored Glycine 0 N--CA 1.454 -0.131 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.58 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HCS . . . . . 0.493 ' HB2' ' CG ' ' A' ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.48 -36.29 71.29 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.814 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 7' ' ' THR . 23.1 m -87.88 40.01 0.92 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.928 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.4 p -56.35 -38.71 71.75 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.27 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -51.55 -39.81 58.5 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.665 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.465 ' CB ' HG22 ' A' ' 7' ' ' THR . 18.6 t80 -54.27 -39.27 66.73 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.315 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.137 0 O-C-N 122.425 -0.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 C--O 1.233 0.237 0 CA-C-O 121.322 0.582 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.228 0 CA-C-N 115.245 -0.889 . . . . 0.0 113.034 179.467 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.549 ' CE1' HG23 ' A' ' 7' ' ' THR . 13.7 p90 . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 120.584 0.23 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.549 HG23 ' CE1' ' A' ' 6' ' ' PHE . 62.8 p -66.68 -13.06 60.78 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.3 p -41.23 -47.99 3.45 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -70.21 -44.53 68.45 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.728 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 26.6 t80 . . . . . 0 CA--C 1.532 0.259 0 CA-C-O 121.23 0.538 . . . . 0.0 110.49 179.59 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 . . . . . 0 C--O 1.233 0.232 0 CA-C-O 121.024 0.44 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.505 -178.767 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.8 t80 . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 120.446 0.165 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.0 t -59.26 -43.06 92.47 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.9 p -60.91 -37.38 82.06 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.636 0.255 . . . . 0.0 110.97 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -89.04 34.24 0.79 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.683 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.0 p90 . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 120.43 0.157 . . . . 0.0 110.948 179.7 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.35 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.945 -179.371 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.617 ' HA ' ' CE1' ' A' ' 10' ' ' PHE . 8.9 t -52.15 -32.96 38.17 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.9 p -52.77 -39.63 62.42 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -85.46 29.28 0.69 Allowed 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.617 ' CE1' ' HA ' ' A' ' 7' ' ' THR . 1.9 m-85 . . . . . 0 N--CA 1.465 0.293 0 CA-C-O 120.95 0.405 . . . . 0.0 110.369 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 . . . . . 0 N--CA 1.466 0.363 0 CA-C-O 121.288 0.566 . . . . 0.0 111.449 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.517 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.591 -179.317 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 7' ' ' THR . 7.3 p90 . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.401 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 89.0 m -62.17 -47.03 86.31 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.92 0.391 . . . . 0.0 110.307 178.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.4 t -59.74 -27.03 66.15 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.543 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -43.75 -39.51 3.77 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 122.426 0.29 . . . . 0.0 111.301 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.1 t80 . . . . . 0 CA--C 1.535 0.384 0 CA-C-O 121.441 0.639 . . . . 0.0 109.915 179.231 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.865 0.364 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.577 0 CA-C-N 115.908 -0.587 . . . . 0.0 113.397 -179.816 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.2 t80 . . . . . 0 CA--C 1.53 0.181 0 CA-C-O 120.6 0.238 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.49 ' HB ' ' HB3' ' A' ' 10' ' ' PHE . 69.1 p -92.11 43.24 1.13 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.043 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 m -50.44 -43.98 55.29 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.544 0.211 . . . . 0.0 111.365 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -61.43 -42.71 99.18 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.065 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.49 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 19.5 t80 . . . . . 0 CA--C 1.534 0.356 0 CA-C-O 121.097 0.475 . . . . 0.0 110.583 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.739 0.304 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.59 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.158 -179.557 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.3 p90 . . . . . 0 CA--C 1.534 0.335 0 CA-C-O 120.509 0.195 . . . . 0.0 111.321 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.508 HG22 ' HD2' ' A' ' 10' ' ' PHE . 91.3 m -57.9 -32.85 68.14 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.525 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.2 m -41.68 -30.66 0.24 Allowed 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -48.75 -24.23 1.33 Allowed 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.508 ' HD2' HG22 ' A' ' 7' ' ' THR . 5.6 p90 . . . . . 0 N--CA 1.467 0.413 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 . . . . . 0 N--CA 1.466 0.371 0 CA-C-O 121.121 0.486 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.346 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.651 -179.248 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.1 t80 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.579 0.228 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 51.0 p -86.85 37.65 0.77 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.559 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.5 t -63.02 -41.14 99.48 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.655 0.264 . . . . 0.0 110.531 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -89.31 30.04 1.03 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.543 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.6 p90 . . . . . 0 CA--C 1.528 0.133 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 . . . . . 0 C--O 1.233 0.235 0 CA-C-O 121.064 0.459 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.688 -179.223 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 CA--C 1.531 0.249 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 7' ' ' THR . 16.4 m -90.84 39.36 0.98 Allowed 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.811 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.449 ' C ' ' H ' ' A' ' 10' ' ' PHE . 66.0 m -53.15 -48.65 67.78 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.12 -0.363 . . . . 0.0 110.916 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -71.78 35.0 0.06 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.609 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.449 ' H ' ' C ' ' A' ' 8' ' ' SER . 21.0 t80 . . . . . 0 CA--C 1.533 0.293 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.927 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 . . . . . 0 N--CA 1.464 0.233 0 CA-C-O 121.026 0.441 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.513 0 CA-C-N 115.696 -0.683 . . . . 0.0 112.028 -179.612 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.9 t80 . . . . . 0 N--CA 1.467 0.382 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.1 p -47.78 -37.78 14.23 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.4 t -47.93 -43.9 29.53 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.277 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -56.69 -49.03 76.32 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 N--CA 1.464 0.25 0 CA-C-O 121.342 0.591 . . . . 0.0 110.654 179.43 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.413 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.179 -178.809 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 . . . . . 0 CA--C 1.53 0.183 0 CA-C-O 120.455 0.169 . . . . 0.0 111.335 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.3 m -55.74 -44.16 77.3 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.106 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.2 t -52.67 -42.76 65.02 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.891 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.52 -43.82 93.32 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.762 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 121.4 0.619 . . . . 0.0 110.391 179.416 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.048 0.451 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.715 -179.725 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.1 t80 . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.588 0.232 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 90.3 m -60.92 -32.37 71.87 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.518 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 t -50.91 -40.47 56.98 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.301 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.74 -46.08 90.24 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.961 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 . . . . . 0 N--CA 1.463 0.2 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.716 179.85 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 . . . . . 0 C--O 1.234 0.244 0 CA-C-O 120.798 0.333 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.537 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.281 -179.044 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 8' ' ' SER . 7.9 t -57.71 -49.02 77.91 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.415 0.15 . . . . 0.0 111.194 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.439 ' N ' HG23 ' A' ' 7' ' ' THR . 38.1 t -66.4 -41.14 89.77 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.871 0.367 . . . . 0.0 110.283 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -62.85 -25.56 68.34 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.523 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 32.6 t80 . . . . . 0 N--CA 1.466 0.333 0 CA-C-O 120.579 0.228 . . . . 0.0 110.933 -179.557 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 . . . . . 0 CA--C 1.532 0.259 0 CA-C-O 121.213 0.53 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.512 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.448 -179.666 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 27.5 t80 . . . . . 0 N--CA 1.467 0.401 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.8 m -75.73 -35.34 60.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.359 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.9 m -56.45 -41.03 75.79 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.466 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -85.61 38.93 0.77 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.396 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.6 p90 . . . . . 0 CA--C 1.531 0.238 0 CA-C-O 120.525 0.202 . . . . 0.0 111.087 179.236 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.182 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.376 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.281 -178.953 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.7 p90 . . . . . 0 N--CA 1.466 0.339 0 CA-C-O 120.529 0.204 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.7 t -54.54 -40.47 68.7 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.6 p -51.67 -48.7 63.35 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.475 0.179 . . . . 0.0 111.47 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -77.21 -27.29 53.43 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.476 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.468 0.451 0 CA-C-O 120.696 0.284 . . . . 0.0 110.761 179.146 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 C--O 1.233 0.217 0 CA-C-O 121.288 0.566 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.131 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.58 179.761 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 120.558 0.218 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 7' ' ' THR . 23.1 m -87.88 40.01 0.92 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.928 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.4 p -56.35 -38.71 71.75 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.27 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -51.55 -39.81 58.5 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.665 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.465 ' CB ' HG22 ' A' ' 7' ' ' THR . 18.6 t80 . . . . . 0 N--CA 1.464 0.269 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.315 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 68.8 t60 . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.583 0.23 . . . . 0.0 111.437 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' KCY . . . . . 0.535 ' CG ' ' HB2' ' A' ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -56.64 107.62 0.41 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.322 0.582 . . . . 0.0 112.084 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.02 44.02 69.55 Favored Glycine 0 C--N 1.33 0.228 0 CA-C-N 115.245 -0.889 . . . . 0.0 113.034 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HCS . . . . . 0.566 ' HG3' ' HB3' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.549 ' CE1' HG23 ' A' ' 7' ' ' THR . 13.7 p90 -71.03 -30.8 67.09 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.896 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.549 HG23 ' CE1' ' A' ' 6' ' ' PHE . 62.8 p -66.68 -13.06 60.78 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.566 ' HB3' ' HG3' ' A' ' 5' ' ' HCS . 77.3 p -41.23 -47.99 3.45 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.628 ' O ' ' N ' ' A' ' 11' ' ' PH8 . 50.2 m-20 -70.21 -44.53 68.45 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.728 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -61.75 54.47 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.23 0.538 . . . . 0.0 110.49 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . 0.628 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.161 0 O-C-N 122.406 -0.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.6 t60 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -66.54 102.12 0.86 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.024 0.44 . . . . 0.0 109.94 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.8 -41.46 1.52 Allowed Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.505 -178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -55.2 -37.49 67.18 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.259 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.0 t -59.26 -43.06 92.47 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.9 p -60.91 -37.38 82.06 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.636 0.255 . . . . 0.0 110.97 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -89.04 34.24 0.79 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.683 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -62.87 -36.21 82.54 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.43 0.157 . . . . 0.0 110.948 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.174 0 O-C-N 122.041 -0.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 49.0 m170 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 120.474 0.178 . . . . 0.0 111.314 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.82 99.95 0.27 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.458 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.66 -39.92 1.0 Allowed Glycine 0 C--N 1.332 0.35 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.945 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -52.61 -37.51 58.44 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.7 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.617 ' HA ' ' CE1' ' A' ' 10' ' ' PHE . 8.9 t -52.15 -32.96 38.17 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.9 p -52.77 -39.63 62.42 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -85.46 29.28 0.69 Allowed 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.617 ' CE1' ' HA ' ' A' ' 7' ' ' THR . 1.9 m-85 -65.06 -32.87 74.8 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.95 0.405 . . . . 0.0 110.369 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.114 0 O-C-N 122.284 -0.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.507 ' HB3' ' HG2' ' A' ' 3' ' ' GLU . 52.1 m170 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 120.673 0.273 . . . . 0.0 111.334 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.507 ' HG2' ' HB3' ' A' ' 1' ' ' HIS . 10.9 pt-20 -46.23 101.39 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.288 0.566 . . . . 0.0 111.449 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.96 -29.63 0.48 Allowed Glycine 0 CA--C 1.522 0.517 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.591 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 7' ' ' THR . 7.3 p90 -47.72 -33.23 6.72 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.049 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.401 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 89.0 m -62.17 -47.03 86.31 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.92 0.391 . . . . 0.0 110.307 178.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.4 t -59.74 -27.03 66.15 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.543 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.855 ' O ' ' N ' ' A' ' 11' ' ' PH8 . 49.7 t0 -43.75 -39.51 3.77 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 122.426 0.29 . . . . 0.0 111.301 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -54.51 49.4 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.441 0.639 . . . . 0.0 109.915 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . 0.855 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.139 0 CA-C-N 116.756 -0.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 120.411 0.148 . . . . 0.0 111.314 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' KCY . . . . . 0.78 ' SD ' ' HCA' ' A' ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -56.37 103.07 0.09 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.865 0.364 . . . . 0.0 111.178 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.25 -31.64 5.02 Favored Glycine 0 C--N 1.336 0.577 0 CA-C-N 115.908 -0.587 . . . . 0.0 113.397 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HCS . . . . . 0.78 ' HCA' ' SD ' ' A' ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -55.15 -47.81 74.59 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.011 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.49 ' HB ' ' HB3' ' A' ' 10' ' ' PHE . 69.1 p -92.11 43.24 1.13 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.043 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 m -50.44 -43.98 55.29 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.544 0.211 . . . . 0.0 111.365 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.582 ' O ' ' N ' ' A' ' 11' ' ' PH8 . 54.6 m-20 -61.43 -42.71 99.18 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.065 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.49 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 19.5 t80 -63.53 37.95 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.097 0.475 . . . . 0.0 110.583 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . 0.582 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.095 0 O-C-N 122.106 -0.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -63.48 105.07 0.71 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.739 0.304 . . . . 0.0 110.535 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.85 -16.56 60.77 Favored Glycine 0 CA--C 1.523 0.59 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.158 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -62.51 -31.54 72.32 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.321 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.508 HG22 ' HD2' ' A' ' 10' ' ' PHE . 91.3 m -57.9 -32.85 68.14 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.525 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.2 m -41.68 -30.66 0.24 Allowed 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -48.75 -24.23 1.33 Allowed 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.508 ' HD2' HG22 ' A' ' 7' ' ' THR . 5.6 p90 -52.29 -31.92 35.09 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . 0.416 ' N ' ' CD1' ' A' ' 10' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 O-C-N 122.43 -0.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 76.0 t60 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -40.03 103.32 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.121 0.486 . . . . 0.0 111.418 -178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.39 -29.85 0.63 Allowed Glycine 0 CA--C 1.52 0.346 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.651 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.12 -51.53 68.94 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.35 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 51.0 p -86.85 37.65 0.77 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.559 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.5 t -63.02 -41.14 99.48 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.655 0.264 . . . . 0.0 110.531 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -89.31 30.04 1.03 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.543 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -67.94 -38.31 82.69 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.084 0 O-C-N 121.765 -0.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 120.844 0.354 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -54.55 95.66 0.01 OUTLIER 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.064 0.459 . . . . 0.0 110.501 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.94 -41.99 0.32 Allowed Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.688 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -60.75 -40.85 94.02 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 122.312 -0.243 . . . . 0.0 110.426 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 7' ' ' THR . 16.4 m -90.84 39.36 0.98 Allowed 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.811 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.449 ' C ' ' H ' ' A' ' 10' ' ' PHE . 66.0 m -53.15 -48.65 67.78 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.12 -0.363 . . . . 0.0 110.916 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -71.78 35.0 0.06 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.609 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.449 ' H ' ' C ' ' A' ' 8' ' ' SER . 21.0 t80 -55.8 -36.16 67.11 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.927 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.801 -0.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 120.403 0.144 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' KCY . . . . . 0.757 ' CB ' ' HB2' ' A' ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -64.58 104.33 0.79 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.026 0.441 . . . . 0.0 111.596 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.32 40.73 85.95 Favored Glycine 0 C--N 1.335 0.513 0 CA-C-N 115.696 -0.683 . . . . 0.0 112.028 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HCS . . . . . 0.757 ' HB2' ' CB ' ' A' ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -53.15 -30.72 38.67 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.935 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.1 p -47.78 -37.78 14.23 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.605 ' HB2' ' SD ' ' A' ' 2' ' ' KCY . 36.4 t -47.93 -43.9 29.53 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.277 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -56.69 -49.03 76.32 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -71.8 67.78 0.6 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.342 0.591 . . . . 0.0 110.654 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.078 0 O-C-N 122.343 -0.223 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -57.66 98.23 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 110.176 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.62 -34.39 1.89 Allowed Glycine 0 CA--C 1.521 0.413 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.179 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -53.57 -39.31 64.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.335 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.3 m -55.74 -44.16 77.3 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.106 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.2 t -52.67 -42.76 65.02 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.891 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.65 ' O ' ' N ' ' A' ' 11' ' ' PH8 . 2.0 m-20 -59.52 -43.82 93.32 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.762 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -61.95 49.16 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.4 0.619 . . . . 0.0 110.391 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . 0.65 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.143 0 O-C-N 122.425 -0.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.405 ' O ' ' CB ' ' A' ' 2' ' ' KCY . 98.0 m-70 . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 120.438 0.161 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' KCY . . . . . 0.405 ' CB ' ' O ' ' A' ' 1' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.6 98.36 0.18 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.048 0.451 . . . . 0.0 110.882 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.55 -37.86 0.51 Allowed Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.715 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -60.26 -43.46 96.14 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.94 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 90.3 m -60.92 -32.37 71.87 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.518 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 t -50.91 -40.47 56.98 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.301 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.74 -46.08 90.24 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.961 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -61.16 -46.21 91.44 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.716 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.108 0 O-C-N 122.074 -0.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 77.4 t60 . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.609 0.242 . . . . 0.0 111.474 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' KCY . . . . . 0.601 ' SD ' ' C ' ' A' ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.06 101.95 1.23 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.798 0.333 . . . . 0.0 110.229 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.1 -21.74 5.18 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.281 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -47.92 -42.67 27.77 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.066 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 8' ' ' SER . 7.9 t -57.71 -49.02 77.91 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.415 0.15 . . . . 0.0 111.194 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.439 ' N ' HG23 ' A' ' 7' ' ' THR . 38.1 t -66.4 -41.14 89.77 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.871 0.367 . . . . 0.0 110.283 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -62.85 -25.56 68.34 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.523 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -49.85 -32.57 14.63 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.579 0.228 . . . . 0.0 110.933 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 116.24 -0.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.623 ' O ' ' N ' ' A' ' 3' ' ' GLU . 86.8 m-70 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 120.552 0.215 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 1' ' ' HIS . 14.5 pt-20 -43.38 104.84 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.778 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.85 -40.05 2.37 Favored Glycine 0 C--N 1.335 0.512 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.448 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HCS . . . . . 0.673 ' HB3' ' HB2' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -45.77 -52.33 11.29 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.811 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.8 m -75.73 -35.34 60.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.359 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.673 ' HB2' ' HB3' ' A' ' 5' ' ' HCS . 49.9 m -56.45 -41.03 75.79 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.466 -179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -85.61 38.93 0.77 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.396 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 11' ' ' PH8 . 7.6 p90 -58.7 -35.56 72.83 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.525 0.202 . . . . 0.0 111.087 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . 0.423 ' N ' ' CD1' ' A' ' 10' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.147 0 O-C-N 122.178 -0.326 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.55 ' O ' ' N ' ' A' ' 3' ' ' GLU . 41.9 m80 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 120.656 0.265 . . . . 0.0 111.668 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.55 ' N ' ' O ' ' A' ' 1' ' ' HIS . 0.1 OUTLIER -54.45 103.42 0.08 Allowed 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.425 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.23 41.04 5.93 Favored Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.281 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -56.89 -35.52 69.06 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.483 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.7 t -54.54 -40.47 68.7 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.6 p -51.67 -48.7 63.35 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.475 0.179 . . . . 0.0 111.47 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -77.21 -27.29 53.43 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.476 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.25 -44.43 83.87 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.696 0.284 . . . . 0.0 110.761 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.162 0 O-C-N 122.3 -0.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.402 ' HD2' ' HB2' ' A' ' 3' ' ' GLU . 54.5 t60 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.768 0.318 . . . . 0.0 111.284 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' KCY . . . . . 0.493 ' CG ' ' HB2' ' A' ' 5' ' ' HCS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.402 ' HB2' ' HD2' ' A' ' 1' ' ' HIS . 88.3 tt0 -42.98 108.22 0.1 Allowed 'General case' 0 C--N 1.342 0.254 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.102 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.56 42.76 6.77 Favored Glycine 0 N--CA 1.454 -0.131 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.58 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HCS . . . . . 0.493 ' HB2' ' CG ' ' A' ' 2' ' ' KCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.48 -36.29 71.29 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.814 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 7' ' ' THR . 23.1 m -87.88 40.01 0.92 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.928 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.4 p -56.35 -38.71 71.75 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.27 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -51.55 -39.81 58.5 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.665 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.465 ' CB ' HG22 ' A' ' 7' ' ' THR . 18.6 t80 -54.27 -39.27 66.73 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.315 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PH8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.137 0 O-C-N 122.425 -0.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_