data_6qyv_residue ############################ # Computer software used # ############################ 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 6qyv _Structure_validation_residue.Date_analyzed 2019-09-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.42 ' CD2' ' N ' ' A' ' 1' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.586 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.638 ' CD2' ' N ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.521 -0.171 0 CA-C-O 120.579 0.228 . . . . 0.0 111.052 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.402 ' H ' ' HG ' ' A' ' 4' ' ' LEU . . . -142.34 2.93 1.5 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.078 0.466 . . . . 0.0 110.316 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tp -147.09 47.74 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.353 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.3 m -66.07 -15.38 63.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.446 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.506 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.217 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.423 0.154 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.64 2.08 1.21 Allowed 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.545 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.11 49.89 1.92 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.651 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -104.47 21.67 16.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.575 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.563 179.897 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.7 p90 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.478 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 tp . . . . . 0 CA--C 1.513 -0.467 0 CA-C-O 120.953 0.406 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.76 -58.24 0.4 Allowed 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.567 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.77 66.43 0.87 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.1 m -75.98 -10.8 59.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.972 0.415 . . . . 0.0 110.609 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.446 -179.808 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.556 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.46 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER . . . . . 0 CA--C 1.516 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.401 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.02 -57.92 0.38 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.32 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pp -144.3 45.26 1.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.424 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -81.98 -51.45 8.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.662 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.597 -179.884 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 14.5 t80 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.764 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.464 0.247 0 CA-C-O 120.469 0.176 . . . . 0.0 110.663 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.3 -36.87 0.32 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 120.226 -0.59 . . . . 0.0 111.057 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.01 67.52 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.67 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.5 ' O ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -53.81 -31.51 49.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.424 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.5 ' O ' ' O ' ' A' ' 7' ' ' CYS . . . . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.561 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.5 t80 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.516 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.461 0.104 0 CA-C-O 120.438 0.161 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.39 -17.19 0.64 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.718 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.0 60.33 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.353 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 8' ' ' ALA . 11.5 m -60.03 -29.27 68.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.507 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 7' ' ' CYS . . . . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.548 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 28.8 t80 . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.758 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.519 -0.245 0 CA-C-O 120.495 0.188 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.52 -56.42 0.35 Allowed 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.911 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -150.39 58.83 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.691 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.09 -46.17 24.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.922 0.391 . . . . 0.0 110.423 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.597 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.244 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 N--CA 1.461 0.079 0 N-CA-C 111.509 0.189 . . . . 0.0 111.509 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.79 -20.81 0.66 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.691 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -143.78 56.88 1.35 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.085 179.433 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.793 ' SG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -128.55 -64.45 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.891 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.793 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.764 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.59 ' O ' ' N ' ' A' ' 4' ' ' LEU . 9.8 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.183 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.59 ' N ' ' O ' ' A' ' 2' ' ' SER . 5.9 mp . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 120.604 0.24 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.54 -20.57 0.6 Allowed 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.417 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.72 66.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.591 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.57 -34.11 72.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.702 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.553 180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.301 179.688 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.469 ' HG ' ' N ' ' A' ' 5' ' ' ALA . 1.1 tp . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.583 0.23 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.469 ' N ' ' HG ' ' A' ' 4' ' ' LEU . . . -143.27 7.03 1.54 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.631 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -135.1 41.05 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.412 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.549 ' SG ' ' N ' ' A' ' 8' ' ' ALA . 15.2 p -162.01 -64.35 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.475 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.549 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.489 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.534 ' O ' ' CG ' ' A' ' 1' ' ' PHE . 2.6 p90 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 0 C--N 1.329 -0.292 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.132 179.715 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.485 0.183 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.29 -27.38 0.51 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.002 0.43 . . . . 0.0 110.424 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.602 ' CD2' ' N ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -151.18 69.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.574 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -124.85 -71.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.631 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.083 -0.96 . . . . 0.0 110.596 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.43 ' O ' ' CG ' ' A' ' 1' ' ' PHE . 3.2 p90 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.327 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.481 ' HG ' ' H ' ' A' ' 5' ' ' ALA . 0.1 OUTLIER . . . . . 0 CA--C 1.519 -0.243 0 CA-C-O 120.644 0.259 . . . . 0.0 110.361 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.481 ' H ' ' HG ' ' A' ' 4' ' ' LEU . . . -143.48 -7.13 0.78 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.428 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mt -149.94 71.09 1.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.721 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.01 3.81 28.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.796 0.331 . . . . 0.0 110.636 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.51 179.921 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.724 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 CA--C 1.521 -0.135 0 CA-C-O 120.513 0.197 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.95 12.12 1.83 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.137 0.494 . . . . 0.0 109.92 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -114.16 -73.9 0.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.229 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -40.8 -42.48 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.467 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.583 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.598 ' C ' ' CD2' ' A' ' 1' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.437 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.545 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 7.0 mt . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 120.405 0.145 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.64 -24.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.035 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.29 70.0 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.018 0.437 . . . . 0.0 110.662 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.545 ' SG ' ' N ' ' A' ' 4' ' ' LEU . 2.1 p -158.4 -67.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.546 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.658 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.529 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.462 0.155 0 CA-C-O 120.488 0.185 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.1 -19.67 0.64 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.022 0.439 . . . . 0.0 110.064 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.524 ' C ' ' H ' ' A' ' 8' ' ' ALA . 65.9 mt -139.86 52.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.094 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.9 m -46.14 -13.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.72 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.524 ' H ' ' C ' ' A' ' 6' ' ' LEU . . . . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.504 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.42 ' CD2' ' N ' ' A' ' 1' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.76 82.58 2.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.586 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.638 ' CD2' ' N ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -126.62 -69.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.052 -179.702 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.402 ' H ' ' HG ' ' A' ' 4' ' ' LEU . . . -142.34 2.93 1.5 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.078 0.466 . . . . 0.0 110.316 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tp -147.09 47.74 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.353 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.3 m -66.07 -15.38 63.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.446 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.506 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.2 104.8 4.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.217 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 mt -151.14 -68.55 0.18 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.887 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.64 2.08 1.21 Allowed 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.545 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.11 49.89 1.92 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.651 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -104.47 21.67 16.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.575 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.563 179.897 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 3' ' ' DAL . 2.7 p90 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.49 38.22 0.14 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.478 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' DAL . . . . . 0.636 ' O ' ' CB ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.636 ' CB ' ' O ' ' A' ' 3' ' ' DAL . 5.3 tp 150.52 -53.54 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.502 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.76 -58.24 0.4 Allowed 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.567 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.77 66.43 0.87 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.1 m -75.98 -10.8 59.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.972 0.415 . . . . 0.0 110.609 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.446 -179.808 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.574 ' O ' ' C ' ' A' ' 3' ' ' DAL . 9.3 p -127.43 141.25 51.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.556 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' DAL . . . . . 0.574 ' C ' ' O ' ' A' ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.46 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER 175.87 -62.24 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.401 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.02 -57.92 0.38 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.32 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pp -144.3 45.26 1.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.424 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -81.98 -51.45 8.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.662 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.597 -179.884 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 14.5 t80 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.09 154.4 23.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.764 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' DAL . . . . . 0.534 ' O ' ' CD1' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.534 ' CD1' ' O ' ' A' ' 3' ' ' DAL . 0.6 OUTLIER 170.41 -55.85 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.663 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.3 -36.87 0.32 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 120.226 -0.59 . . . . 0.0 111.057 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.01 67.52 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.67 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.5 ' O ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -53.81 -31.51 49.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.424 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.5 ' O ' ' O ' ' A' ' 7' ' ' CYS . . . . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.561 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.5 t80 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.48 151.72 19.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.516 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 mt -151.7 -68.77 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.39 -17.19 0.64 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.718 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.0 60.33 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.353 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 8' ' ' ALA . 11.5 m -60.03 -29.27 68.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.507 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 7' ' ' CYS . . . . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.548 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 28.8 t80 . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.448 ' O ' ' O ' ' A' ' 3' ' ' DAL . 0.0 OUTLIER -45.26 159.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.758 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' DAL . . . . . 0.523 ' O ' ' CD1' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.523 ' CD1' ' O ' ' A' ' 3' ' ' DAL . 0.4 OUTLIER 170.98 -56.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.681 179.746 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.52 -56.42 0.35 Allowed 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.911 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -150.39 58.83 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.691 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.09 -46.17 24.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.922 0.391 . . . . 0.0 110.423 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.597 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.49 103.59 7.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.244 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' DAL . . . . . 0.55 ' H ' ' CB ' ' A' ' 7' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mt -141.7 -68.85 0.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.509 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.79 -20.81 0.66 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.691 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -143.78 56.88 1.35 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.085 179.433 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.793 ' SG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -128.55 -64.45 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.891 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.793 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.764 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.64 ' OG ' ' N ' ' A' ' 3' ' ' DAL . 9.8 t -168.76 -128.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.183 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' DAL . . . . . 0.64 ' N ' ' OG ' ' A' ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.59 ' N ' ' O ' ' A' ' 2' ' ' SER . 5.9 mp -113.29 -68.33 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.971 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.54 -20.57 0.6 Allowed 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.417 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.72 66.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.591 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.57 -34.11 72.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.702 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.553 180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.584 ' O ' ' O ' ' A' ' 3' ' ' DAL . 2.9 t -107.82 106.78 17.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.301 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' DAL . . . . . 0.584 ' O ' ' O ' ' A' ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.469 ' HG ' ' N ' ' A' ' 5' ' ' ALA . 1.1 tp -176.35 -63.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.868 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.469 ' N ' ' HG ' ' A' ' 4' ' ' LEU . . . -143.27 7.03 1.54 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.631 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -135.1 41.05 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.412 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.549 ' SG ' ' N ' ' A' ' 8' ' ' ALA . 15.2 p -162.01 -64.35 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.475 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.549 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.489 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.534 ' O ' ' CG ' ' A' ' 1' ' ' PHE . 2.6 p90 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 3' ' ' DAL . 41.7 t -60.25 159.34 10.02 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.132 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' DAL . . . . . 0.437 ' O ' ' O ' ' A' ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mp -117.77 -70.4 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.95 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.29 -27.38 0.51 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.002 0.43 . . . . 0.0 110.424 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.602 ' CD2' ' N ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -151.18 69.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.574 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -124.85 -71.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.631 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.083 -0.96 . . . . 0.0 110.596 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.43 ' O ' ' CG ' ' A' ' 1' ' ' PHE . 3.2 p90 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.83 -179.68 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.327 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.481 ' HG ' ' H ' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -119.28 -71.27 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.361 179.801 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.481 ' H ' ' HG ' ' A' ' 4' ' ' LEU . . . -143.48 -7.13 0.78 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.428 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mt -149.94 71.09 1.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.721 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.01 3.81 28.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.796 0.331 . . . . 0.0 110.636 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.51 179.921 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.572 ' O ' ' C ' ' A' ' 3' ' ' DAL . 0.0 OUTLIER -108.99 146.13 34.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.724 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' DAL . . . . . 0.572 ' C ' ' O ' ' A' ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 mt -144.28 -68.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.655 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.95 12.12 1.83 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.137 0.494 . . . . 0.0 109.92 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -114.16 -73.9 0.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.229 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -40.8 -42.48 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.467 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.583 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.598 ' C ' ' CD2' ' A' ' 1' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.74 82.97 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.437 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.485 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 7.0 mt -154.94 -68.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.013 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.64 -24.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.035 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.29 70.0 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.018 0.437 . . . . 0.0 110.662 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 4' ' ' LEU . 2.1 p -158.4 -67.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.546 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.658 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.528 ' O ' ' O ' ' A' ' 3' ' ' DAL . 14.4 p -150.26 93.23 1.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.529 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' DAL . . . . . 0.528 ' O ' ' O ' ' A' ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.407 ' H ' ' HB2' ' A' ' 3' ' ' DAL . 5.8 mp -124.71 -69.4 0.8 Allowed 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.09 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.1 -19.67 0.64 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.022 0.439 . . . . 0.0 110.064 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.524 ' C ' ' H ' ' A' ' 8' ' ' ALA . 65.9 mt -139.86 52.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.094 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.9 m -46.14 -13.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.72 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.524 ' H ' ' C ' ' A' ' 6' ' ' LEU . . . . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.504 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.586 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.876 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.521 -0.171 0 CA-C-O 120.579 0.228 . . . . 0.0 111.052 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.34 2.93 1.5 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.078 0.466 . . . . 0.0 110.316 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tp -147.09 47.74 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.353 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.3 m -66.07 -15.38 63.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.446 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.506 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.217 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' A' ' 4' ' ' LEU . 6.9 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.423 0.154 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.475 ' O ' HD12 ' A' ' 6' ' ' LEU . . . -143.64 2.08 1.21 Allowed 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.545 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -138.11 49.89 1.92 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.651 -179.775 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -104.47 21.67 16.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.575 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.563 179.897 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.7 p90 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.478 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.537 ' O ' HD12 ' A' ' 4' ' ' LEU . 5.3 tp . . . . . 0 CA--C 1.513 -0.467 0 CA-C-O 120.953 0.406 . . . . 0.0 110.502 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.76 -58.24 0.4 Allowed 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.567 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.77 66.43 0.87 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.1 m -75.98 -10.8 59.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.972 0.415 . . . . 0.0 110.609 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.446 -179.808 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.556 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.46 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER . . . . . 0 CA--C 1.516 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.401 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.02 -57.92 0.38 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.32 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.477 ' C ' HD12 ' A' ' 6' ' ' LEU . 1.1 pp -144.3 45.26 1.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.424 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -81.98 -51.45 8.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.662 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.597 -179.884 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 14.5 t80 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.764 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.464 0.247 0 CA-C-O 120.469 0.176 . . . . 0.0 110.663 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.3 -36.87 0.32 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 120.226 -0.59 . . . . 0.0 111.057 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.507 ' H ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -147.01 67.52 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.67 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.5 ' O ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -53.81 -31.51 49.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.424 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.5 ' O ' ' O ' ' A' ' 7' ' ' CYS . . . . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.561 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.5 t80 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.516 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.461 0.104 0 CA-C-O 120.438 0.161 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.39 -17.19 0.64 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.718 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.0 60.33 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.353 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 8' ' ' ALA . 11.5 m -60.03 -29.27 68.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.507 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 7' ' ' CYS . . . . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.548 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 28.8 t80 . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.758 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.519 -0.245 0 CA-C-O 120.495 0.188 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.52 -56.42 0.35 Allowed 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.911 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -150.39 58.83 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.691 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.09 -46.17 24.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.922 0.391 . . . . 0.0 110.423 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.597 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.244 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 N--CA 1.461 0.079 0 N-CA-C 111.509 0.189 . . . . 0.0 111.509 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.79 -20.81 0.66 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.691 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -143.78 56.88 1.35 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.085 179.433 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.793 ' SG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -128.55 -64.45 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.891 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.793 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.764 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.59 ' O ' ' N ' ' A' ' 4' ' ' LEU . 9.8 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.183 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.59 ' N ' ' O ' ' A' ' 2' ' ' SER . 5.9 mp . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 120.604 0.24 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.54 -20.57 0.6 Allowed 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.417 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.72 66.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.591 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.57 -34.11 72.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.702 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.553 180.0 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.301 179.688 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.655 ' C ' HD12 ' A' ' 4' ' ' LEU . 1.1 tp . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.583 0.23 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.475 ' N ' ' HG ' ' A' ' 4' ' ' LEU . . . -143.27 7.03 1.54 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.631 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -135.1 41.05 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.412 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.549 ' SG ' ' N ' ' A' ' 8' ' ' ALA . 15.2 p -162.01 -64.35 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.475 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.549 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.489 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.542 ' H3 ' ' HD1' ' A' ' 1' ' ' PHE . 2.6 p90 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 0 C--N 1.329 -0.292 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.132 179.715 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.663 ' N ' ' HG ' ' A' ' 7' ' ' CYS . 6.2 mp . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.485 0.183 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.569 ' HB3' HD23 ' A' ' 6' ' ' LEU . . . -144.29 -27.38 0.51 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.002 0.43 . . . . 0.0 110.424 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.873 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -151.18 69.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.574 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.663 ' HG ' ' N ' ' A' ' 4' ' ' LEU . 1.8 p -124.85 -71.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.631 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.083 -0.96 . . . . 0.0 110.596 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.43 ' O ' ' CG ' ' A' ' 1' ' ' PHE . 3.2 p90 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.327 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.54 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.519 -0.243 0 CA-C-O 120.644 0.259 . . . . 0.0 110.361 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.47 ' H ' ' HG ' ' A' ' 4' ' ' LEU . . . -143.48 -7.13 0.78 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.428 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mt -149.94 71.09 1.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.721 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.01 3.81 28.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.796 0.331 . . . . 0.0 110.636 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.51 179.921 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.724 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 CA--C 1.521 -0.135 0 CA-C-O 120.513 0.197 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.95 12.12 1.83 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.137 0.494 . . . . 0.0 109.92 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.484 ' HA ' HD13 ' A' ' 6' ' ' LEU . 2.2 mm? -114.16 -73.9 0.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.229 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -40.8 -42.48 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.467 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.583 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.598 ' C ' ' CD2' ' A' ' 1' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.437 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.545 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 7.0 mt . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 120.405 0.145 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.64 -24.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.035 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.29 70.0 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.018 0.437 . . . . 0.0 110.662 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.545 ' SG ' ' N ' ' A' ' 4' ' ' LEU . 2.1 p -158.4 -67.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.546 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.658 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.529 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.462 0.155 0 CA-C-O 120.488 0.185 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.1 -19.67 0.64 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.022 0.439 . . . . 0.0 110.064 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 8' ' ' ALA . 65.9 mt -139.86 52.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.094 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.9 m -46.14 -13.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.72 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.504 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.76 82.58 2.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.586 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' DAL . . . . . 0.796 ' C ' HD23 ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.876 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -126.62 -69.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.052 -179.702 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.34 2.93 1.5 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.078 0.466 . . . . 0.0 110.316 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tp -147.09 47.74 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.353 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.3 m -66.07 -15.38 63.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.446 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.506 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.2 104.8 4.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.217 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' A' ' 4' ' ' LEU . 6.9 mt -151.14 -68.55 0.18 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.887 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.475 ' O ' HD12 ' A' ' 6' ' ' LEU . . . -143.64 2.08 1.21 Allowed 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.545 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -138.11 49.89 1.92 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.651 -179.775 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -104.47 21.67 16.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.575 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.563 179.897 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 3' ' ' DAL . 2.7 p90 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.49 38.22 0.14 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.478 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' DAL . . . . . 0.636 ' O ' ' CB ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.636 ' CB ' ' O ' ' A' ' 3' ' ' DAL . 5.3 tp 150.52 -53.54 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.502 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.76 -58.24 0.4 Allowed 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.567 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.77 66.43 0.87 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.1 m -75.98 -10.8 59.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.972 0.415 . . . . 0.0 110.609 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.446 -179.808 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.574 ' O ' ' C ' ' A' ' 3' ' ' DAL . 9.3 p -127.43 141.25 51.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.556 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' DAL . . . . . 0.574 ' C ' ' O ' ' A' ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.46 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER 175.87 -62.24 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.401 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.02 -57.92 0.38 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.32 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.477 ' C ' HD12 ' A' ' 6' ' ' LEU . 1.1 pp -144.3 45.26 1.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.424 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -81.98 -51.45 8.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.662 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.597 -179.884 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 14.5 t80 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.09 154.4 23.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.764 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' DAL . . . . . 0.534 ' O ' ' CD1' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.534 ' CD1' ' O ' ' A' ' 3' ' ' DAL . 0.6 OUTLIER 170.41 -55.85 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.663 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.3 -36.87 0.32 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 120.226 -0.59 . . . . 0.0 111.057 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.507 ' H ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -147.01 67.52 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.67 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.5 ' O ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -53.81 -31.51 49.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.424 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.5 ' O ' ' O ' ' A' ' 7' ' ' CYS . . . . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.561 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.5 t80 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.48 151.72 19.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.516 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 mt -151.7 -68.77 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.39 -17.19 0.64 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.718 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.0 60.33 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.353 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 8' ' ' ALA . 11.5 m -60.03 -29.27 68.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.507 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 7' ' ' CYS . . . . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.548 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 28.8 t80 . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.448 ' O ' ' O ' ' A' ' 3' ' ' DAL . 0.0 OUTLIER -45.26 159.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.758 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' DAL . . . . . 0.523 ' O ' ' CD1' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.523 ' CD1' ' O ' ' A' ' 3' ' ' DAL . 0.4 OUTLIER 170.98 -56.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.681 179.746 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.52 -56.42 0.35 Allowed 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.911 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -150.39 58.83 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.691 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.09 -46.17 24.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.922 0.391 . . . . 0.0 110.423 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.597 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.49 103.59 7.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.244 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' DAL . . . . . 0.551 ' H ' ' CB ' ' A' ' 7' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mt -141.7 -68.85 0.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.509 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.79 -20.81 0.66 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.691 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -143.78 56.88 1.35 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.085 179.433 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.793 ' SG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -128.55 -64.45 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.891 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.793 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.764 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.64 ' OG ' ' N ' ' A' ' 3' ' ' DAL . 9.8 t -168.76 -128.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.183 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' DAL . . . . . 0.64 ' N ' ' OG ' ' A' ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.59 ' N ' ' O ' ' A' ' 2' ' ' SER . 5.9 mp -113.29 -68.33 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.971 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.54 -20.57 0.6 Allowed 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.417 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.72 66.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.591 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.57 -34.11 72.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.702 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.553 180.0 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.584 ' O ' ' O ' ' A' ' 3' ' ' DAL . 2.9 t -107.82 106.78 17.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.301 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' DAL . . . . . 0.584 ' O ' ' O ' ' A' ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.655 ' C ' HD12 ' A' ' 4' ' ' LEU . 1.1 tp -176.35 -63.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.868 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.475 ' N ' ' HG ' ' A' ' 4' ' ' LEU . . . -143.27 7.03 1.54 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.631 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -135.1 41.05 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.412 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.549 ' SG ' ' N ' ' A' ' 8' ' ' ALA . 15.2 p -162.01 -64.35 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.475 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.549 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.489 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.542 ' H3 ' ' HD1' ' A' ' 1' ' ' PHE . 2.6 p90 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 3' ' ' DAL . 41.7 t -60.25 159.34 10.02 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.132 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' DAL . . . . . 0.608 ' O ' HD12 ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 3' ' ' DAL . 6.2 mp -117.77 -70.4 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.569 ' HB3' HD23 ' A' ' 6' ' ' LEU . . . -144.29 -27.38 0.51 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.002 0.43 . . . . 0.0 110.424 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.873 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -151.18 69.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.574 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -124.85 -71.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.631 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.083 -0.96 . . . . 0.0 110.596 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.43 ' O ' ' CG ' ' A' ' 1' ' ' PHE . 3.2 p90 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.83 -179.68 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.327 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.54 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -119.28 -71.27 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.361 179.801 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.47 ' H ' ' HG ' ' A' ' 4' ' ' LEU . . . -143.48 -7.13 0.78 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.428 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mt -149.94 71.09 1.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.721 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.01 3.81 28.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.796 0.331 . . . . 0.0 110.636 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.51 179.921 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.572 ' O ' ' C ' ' A' ' 3' ' ' DAL . 0.0 OUTLIER -108.99 146.13 34.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.724 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' DAL . . . . . 0.572 ' C ' ' O ' ' A' ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 mt -144.28 -68.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.655 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.95 12.12 1.83 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.137 0.494 . . . . 0.0 109.92 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.484 ' HA ' HD13 ' A' ' 6' ' ' LEU . 2.2 mm? -114.16 -73.9 0.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.229 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -40.8 -42.48 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.467 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.583 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.598 ' C ' ' CD2' ' A' ' 1' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.74 82.97 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.437 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.485 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 7.0 mt -154.94 -68.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.013 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.64 -24.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.035 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.29 70.0 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.018 0.437 . . . . 0.0 110.662 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 4' ' ' LEU . 2.1 p -158.4 -67.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.546 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.658 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.528 ' O ' ' O ' ' A' ' 3' ' ' DAL . 14.4 p -150.26 93.23 1.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.529 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' DAL . . . . . 0.583 ' C ' HD12 ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.583 HD12 ' C ' ' A' ' 3' ' ' DAL . 5.8 mp -124.71 -69.4 0.8 Allowed 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.09 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.1 -19.67 0.64 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.022 0.439 . . . . 0.0 110.064 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 8' ' ' ALA . 65.9 mt -139.86 52.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.094 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.9 m -46.14 -13.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.72 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.504 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.586 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.876 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.521 -0.171 0 CA-C-O 120.579 0.228 . . . . 0.0 111.052 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.34 2.93 1.5 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.078 0.466 . . . . 0.0 110.316 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tp -147.09 47.74 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.353 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.3 m -66.07 -15.38 63.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.446 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.506 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.217 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' A' ' 4' ' ' LEU . 6.9 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.423 0.154 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.475 ' O ' HD12 ' A' ' 6' ' ' LEU . . . -143.64 2.08 1.21 Allowed 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.545 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -138.11 49.89 1.92 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.651 -179.775 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -104.47 21.67 16.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.575 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.563 179.897 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.7 p90 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.478 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.537 ' O ' HD12 ' A' ' 4' ' ' LEU . 5.3 tp . . . . . 0 CA--C 1.513 -0.467 0 CA-C-O 120.953 0.406 . . . . 0.0 110.502 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.76 -58.24 0.4 Allowed 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.567 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.77 66.43 0.87 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.1 m -75.98 -10.8 59.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.972 0.415 . . . . 0.0 110.609 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.446 -179.808 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.556 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.46 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER . . . . . 0 CA--C 1.516 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.401 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.02 -57.92 0.38 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.32 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.477 ' C ' HD12 ' A' ' 6' ' ' LEU . 1.1 pp -144.3 45.26 1.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.424 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -81.98 -51.45 8.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.662 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.597 -179.884 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 14.5 t80 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.764 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.464 0.247 0 CA-C-O 120.469 0.176 . . . . 0.0 110.663 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.3 -36.87 0.32 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 120.226 -0.59 . . . . 0.0 111.057 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.507 ' H ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -147.01 67.52 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.67 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.5 ' O ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -53.81 -31.51 49.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.424 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.5 ' O ' ' O ' ' A' ' 7' ' ' CYS . . . . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.561 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.5 t80 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.516 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.461 0.104 0 CA-C-O 120.438 0.161 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.39 -17.19 0.64 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.718 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.0 60.33 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.353 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 8' ' ' ALA . 11.5 m -60.03 -29.27 68.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.507 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 7' ' ' CYS . . . . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.548 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 28.8 t80 . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.758 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.519 -0.245 0 CA-C-O 120.495 0.188 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.52 -56.42 0.35 Allowed 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.911 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -150.39 58.83 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.691 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.09 -46.17 24.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.922 0.391 . . . . 0.0 110.423 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.597 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.244 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 N--CA 1.461 0.079 0 N-CA-C 111.509 0.189 . . . . 0.0 111.509 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.79 -20.81 0.66 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.691 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -143.78 56.88 1.35 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.085 179.433 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.793 ' SG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -128.55 -64.45 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.891 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.793 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.764 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.59 ' O ' ' N ' ' A' ' 4' ' ' LEU . 9.8 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.183 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.59 ' N ' ' O ' ' A' ' 2' ' ' SER . 5.9 mp . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 120.604 0.24 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.54 -20.57 0.6 Allowed 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.417 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.72 66.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.591 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.57 -34.11 72.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.702 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.553 180.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.301 179.688 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.655 ' C ' HD12 ' A' ' 4' ' ' LEU . 1.1 tp . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.583 0.23 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.475 ' N ' ' HG ' ' A' ' 4' ' ' LEU . . . -143.27 7.03 1.54 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.631 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -135.1 41.05 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.412 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.549 ' SG ' ' N ' ' A' ' 8' ' ' ALA . 15.2 p -162.01 -64.35 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.475 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.549 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.489 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.542 ' H3 ' ' HD1' ' A' ' 1' ' ' PHE . 2.6 p90 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 0 C--N 1.329 -0.292 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.132 179.715 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.663 ' N ' ' HG ' ' A' ' 7' ' ' CYS . 6.2 mp . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.485 0.183 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.569 ' HB3' HD23 ' A' ' 6' ' ' LEU . . . -144.29 -27.38 0.51 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.002 0.43 . . . . 0.0 110.424 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.873 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -151.18 69.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.574 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.663 ' HG ' ' N ' ' A' ' 4' ' ' LEU . 1.8 p -124.85 -71.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.631 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.083 -0.96 . . . . 0.0 110.596 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.43 ' O ' ' CG ' ' A' ' 1' ' ' PHE . 3.2 p90 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.327 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.54 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.519 -0.243 0 CA-C-O 120.644 0.259 . . . . 0.0 110.361 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.47 ' H ' ' HG ' ' A' ' 4' ' ' LEU . . . -143.48 -7.13 0.78 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.428 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mt -149.94 71.09 1.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.721 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.01 3.81 28.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.796 0.331 . . . . 0.0 110.636 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.51 179.921 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.724 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 CA--C 1.521 -0.135 0 CA-C-O 120.513 0.197 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.95 12.12 1.83 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.137 0.494 . . . . 0.0 109.92 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.484 ' HA ' HD13 ' A' ' 6' ' ' LEU . 2.2 mm? -114.16 -73.9 0.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.229 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -40.8 -42.48 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.467 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.583 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.598 ' C ' ' CD2' ' A' ' 1' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.437 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.545 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 7.0 mt . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 120.405 0.145 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.64 -24.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.035 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.29 70.0 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.018 0.437 . . . . 0.0 110.662 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.545 ' SG ' ' N ' ' A' ' 4' ' ' LEU . 2.1 p -158.4 -67.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.546 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.658 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.529 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.462 0.155 0 CA-C-O 120.488 0.185 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.1 -19.67 0.64 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.022 0.439 . . . . 0.0 110.064 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 8' ' ' ALA . 65.9 mt -139.86 52.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.094 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.9 m -46.14 -13.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.72 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.504 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.76 82.58 2.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.586 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' DAL . . . . . 0.796 ' C ' HD23 ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.876 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -126.62 -69.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.052 -179.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.34 2.93 1.5 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.078 0.466 . . . . 0.0 110.316 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tp -147.09 47.74 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.353 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.3 m -66.07 -15.38 63.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.446 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.506 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.2 104.8 4.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.217 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' A' ' 4' ' ' LEU . 6.9 mt -151.14 -68.55 0.18 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.887 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.475 ' O ' HD12 ' A' ' 6' ' ' LEU . . . -143.64 2.08 1.21 Allowed 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.545 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -138.11 49.89 1.92 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.651 -179.775 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -104.47 21.67 16.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.575 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.563 179.897 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 3' ' ' DAL . 2.7 p90 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.49 38.22 0.14 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.478 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' DAL . . . . . 0.636 ' O ' ' CB ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.636 ' CB ' ' O ' ' A' ' 3' ' ' DAL . 5.3 tp 150.52 -53.54 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.502 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.76 -58.24 0.4 Allowed 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.567 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.77 66.43 0.87 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.1 m -75.98 -10.8 59.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.972 0.415 . . . . 0.0 110.609 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.446 -179.808 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.574 ' O ' ' C ' ' A' ' 3' ' ' DAL . 9.3 p -127.43 141.25 51.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.556 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' DAL . . . . . 0.574 ' C ' ' O ' ' A' ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.46 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER 175.87 -62.24 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.401 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.02 -57.92 0.38 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.32 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.477 ' C ' HD12 ' A' ' 6' ' ' LEU . 1.1 pp -144.3 45.26 1.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.424 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -81.98 -51.45 8.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.662 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.597 -179.884 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 14.5 t80 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.09 154.4 23.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.764 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' DAL . . . . . 0.534 ' O ' ' CD1' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.534 ' CD1' ' O ' ' A' ' 3' ' ' DAL . 0.6 OUTLIER 170.41 -55.85 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.663 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.3 -36.87 0.32 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 120.226 -0.59 . . . . 0.0 111.057 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.507 ' H ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -147.01 67.52 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.67 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.5 ' O ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -53.81 -31.51 49.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.424 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.5 ' O ' ' O ' ' A' ' 7' ' ' CYS . . . . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.561 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.5 t80 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.48 151.72 19.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.516 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 mt -151.7 -68.77 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.39 -17.19 0.64 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.718 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.0 60.33 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.353 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 8' ' ' ALA . 11.5 m -60.03 -29.27 68.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.507 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 7' ' ' CYS . . . . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.548 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 28.8 t80 . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.448 ' O ' ' O ' ' A' ' 3' ' ' DAL . 0.0 OUTLIER -45.26 159.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.758 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' DAL . . . . . 0.523 ' O ' ' CD1' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.523 ' CD1' ' O ' ' A' ' 3' ' ' DAL . 0.4 OUTLIER 170.98 -56.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.681 179.746 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.52 -56.42 0.35 Allowed 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.911 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -150.39 58.83 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.691 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.09 -46.17 24.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.922 0.391 . . . . 0.0 110.423 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.597 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.49 103.59 7.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.244 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' DAL . . . . . 0.551 ' H ' ' CB ' ' A' ' 7' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mt -141.7 -68.85 0.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.509 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.79 -20.81 0.66 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.691 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -143.78 56.88 1.35 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.085 179.433 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.793 ' SG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -128.55 -64.45 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.891 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.793 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.764 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.64 ' OG ' ' N ' ' A' ' 3' ' ' DAL . 9.8 t -168.76 -128.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.183 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' DAL . . . . . 0.64 ' N ' ' OG ' ' A' ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.59 ' N ' ' O ' ' A' ' 2' ' ' SER . 5.9 mp -113.29 -68.33 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.971 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.54 -20.57 0.6 Allowed 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.417 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.72 66.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.591 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.57 -34.11 72.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.702 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.553 180.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.584 ' O ' ' O ' ' A' ' 3' ' ' DAL . 2.9 t -107.82 106.78 17.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.301 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' DAL . . . . . 0.584 ' O ' ' O ' ' A' ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.655 ' C ' HD12 ' A' ' 4' ' ' LEU . 1.1 tp -176.35 -63.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.868 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.475 ' N ' ' HG ' ' A' ' 4' ' ' LEU . . . -143.27 7.03 1.54 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.631 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -135.1 41.05 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.412 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.549 ' SG ' ' N ' ' A' ' 8' ' ' ALA . 15.2 p -162.01 -64.35 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.475 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.549 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.489 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.542 ' H3 ' ' HD1' ' A' ' 1' ' ' PHE . 2.6 p90 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 3' ' ' DAL . 41.7 t -60.25 159.34 10.02 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.132 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' DAL . . . . . 0.608 ' O ' HD12 ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 3' ' ' DAL . 6.2 mp -117.77 -70.4 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.569 ' HB3' HD23 ' A' ' 6' ' ' LEU . . . -144.29 -27.38 0.51 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.002 0.43 . . . . 0.0 110.424 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.873 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -151.18 69.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.574 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -124.85 -71.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.631 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.083 -0.96 . . . . 0.0 110.596 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.43 ' O ' ' CG ' ' A' ' 1' ' ' PHE . 3.2 p90 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.83 -179.68 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.327 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.54 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -119.28 -71.27 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.361 179.801 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.47 ' H ' ' HG ' ' A' ' 4' ' ' LEU . . . -143.48 -7.13 0.78 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.428 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mt -149.94 71.09 1.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.721 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.01 3.81 28.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.796 0.331 . . . . 0.0 110.636 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.51 179.921 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.572 ' O ' ' C ' ' A' ' 3' ' ' DAL . 0.0 OUTLIER -108.99 146.13 34.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.724 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' DAL . . . . . 0.572 ' C ' ' O ' ' A' ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 mt -144.28 -68.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.655 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.95 12.12 1.83 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.137 0.494 . . . . 0.0 109.92 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.484 ' HA ' HD13 ' A' ' 6' ' ' LEU . 2.2 mm? -114.16 -73.9 0.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.229 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -40.8 -42.48 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.467 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.583 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.598 ' C ' ' CD2' ' A' ' 1' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.74 82.97 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.437 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.485 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 7.0 mt -154.94 -68.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.013 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.64 -24.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.035 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.29 70.0 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.018 0.437 . . . . 0.0 110.662 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 4' ' ' LEU . 2.1 p -158.4 -67.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.546 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.658 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.528 ' O ' ' O ' ' A' ' 3' ' ' DAL . 14.4 p -150.26 93.23 1.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.529 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' DAL . . . . . 0.583 ' C ' HD12 ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.583 HD12 ' C ' ' A' ' 3' ' ' DAL . 5.8 mp -124.71 -69.4 0.8 Allowed 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.09 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.1 -19.67 0.64 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.022 0.439 . . . . 0.0 110.064 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 8' ' ' ALA . 65.9 mt -139.86 52.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.094 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.9 m -46.14 -13.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.72 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.504 179.953 . . . . . . . . 1 1 . 1 stop_ save_